C143H250N2O73P4
APtclcactv03241713512D 0   0.00000     0.00000
 
472480  0  0  0  0  0  0  0  0999 V2000
    2.0000    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    4.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    3.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8564    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564    3.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224    2.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0885    3.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9545    2.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8205    3.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8205    4.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6865    4.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5526    4.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4186    4.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2846    4.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2846    3.3607    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   24.2846    2.3607    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   23.2846    3.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2846    3.3607    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   23.4186    5.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2846    6.3607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2846    7.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4186    7.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1506    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1506    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2846    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0167    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0167   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8827   10.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8827   11.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7487   12.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7487   13.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6147   13.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6147   14.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4808   15.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4808   16.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3468   16.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5526    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5526    7.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6865    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8205    7.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6865    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8205    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9545    8.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8205   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9545   10.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9545   11.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0885   12.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0885   13.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224   13.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224   14.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564   15.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564   16.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904   16.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904   17.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6865    5.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8205    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9545    1.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0885    1.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224    1.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564    1.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904    1.8607    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.6244    2.3607    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.9904    0.9947    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.9904    2.7268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0885    0.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224   -0.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224   -1.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564   -0.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904   -1.1393    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.3564    0.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564   -1.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564   -2.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904   -3.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8477   -3.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6244   -2.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6244   -1.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224   -3.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224   -4.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8804   -5.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8955   -5.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5535   -6.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5687   -6.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9260   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9412   -5.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8027   -7.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1963   -6.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1812   -6.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8240   -7.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8240   -8.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6900   -9.0507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6901  -10.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5561  -10.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4221  -10.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2881  -10.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1542  -10.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1542   -9.0507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0202   -8.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0201   -7.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8861   -7.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8861   -6.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1541   -7.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8862   -9.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8862  -10.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7522  -10.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0202  -10.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0202  -11.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7522   -8.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0561  -11.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8240  -10.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9579  -10.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919  -10.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919  -11.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2258  -12.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2258  -13.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919  -13.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9580  -13.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8240  -13.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8240  -14.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6901  -15.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5561  -14.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4222  -15.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2881  -14.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1541  -15.0507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4222  -16.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2881  -16.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5561  -16.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5561  -17.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6901  -16.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8240  -16.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9580  -12.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919  -14.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3598  -13.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3598  -11.5507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9579   -9.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3151   -8.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8240  -11.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6901  -12.0507    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.5561  -12.5507    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.1900  -11.1847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1901  -12.9168    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.5232   -5.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5081   -5.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8543   -7.8980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0882   -8.5407    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.3221   -9.1835    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.4454   -7.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7311   -9.3069    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.0885   -2.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9545   -3.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8205   -2.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8205   -3.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9545   -4.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6865   -4.1393    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.8205   -2.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3205   -1.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3205   -1.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8205   -0.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8205   -2.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8205   -2.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8205   -0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3205   -0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8205   -0.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3205   -0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3205   -1.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0885   -1.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0885    4.3607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224    4.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2224    5.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904    5.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6244    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7583    5.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8923    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8923    7.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0263    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0263    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2942   10.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4282   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564    7.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6244    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6244   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7583   10.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7583   11.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8923   12.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8923   13.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0263   13.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0263   14.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603   15.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603   16.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6244    7.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8802    3.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3564    5.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    2.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1243    1.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6602    1.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    1.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.7638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.6899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1277    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    3.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    4.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4534    3.4168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0685    4.8094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0169    3.6279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6855    2.5507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6254    3.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9545    3.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6085    4.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2099    4.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6865    4.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9555    5.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9555    5.5507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8215    6.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3627    7.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7612    7.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1506    9.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2846    9.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2287    8.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6272    9.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8046   10.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4061   10.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0947   10.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4933   10.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6706   12.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2721   11.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9608   11.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.3593   12.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5367   13.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1381   13.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.8268   13.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2253   13.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4027   15.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0042   14.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.6928   14.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0913   15.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2687   16.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.8702   16.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.6568   16.3238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8837   17.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0368   17.3977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0895    6.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2971    8.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8986    9.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2836    9.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4175    9.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4311   10.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0326   10.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3439   10.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7424   10.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5651   11.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1665   12.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4779   12.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8764   11.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6990   13.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3005   13.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6119   13.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0104   13.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8330   14.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4345   15.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7458   15.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1444   14.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9670   16.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5685   16.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8798   16.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2783   16.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1104   17.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4904   18.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8704   17.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1496    5.5507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2836    6.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6254    1.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6855    2.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3005   -0.2219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6990    0.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8195   -2.3293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8889   -3.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0596   -4.4879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0138   -2.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4123   -3.2219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0874   -1.3293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6855   -3.4493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4819   -4.6040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1550   -5.7173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8307   -6.9278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4629   -5.2899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7139   -5.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5427   -5.2986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2201   -6.7966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5858   -7.0660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9691   -7.3673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2871   -8.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2270   -9.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1177  -10.9891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8206   -9.5758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0236   -9.5758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6172   -9.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4832   -8.2407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4832   -7.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0982   -7.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4967   -6.9431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4231   -5.7408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1541   -6.4308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8862   -8.4307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4231   -9.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7522  -11.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5571  -10.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5571  -11.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2891   -8.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6761  -11.4168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3610  -10.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9579  -10.6708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5550  -11.2408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6889  -12.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2258  -13.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5550  -13.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4949  -12.7408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4346  -13.6584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0361  -12.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6901  -14.4307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4221  -14.4307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6866  -14.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8896  -14.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6911  -14.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9591  -15.7407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2882  -17.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0930  -16.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0930  -17.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6901  -16.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8240  -17.1708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6289  -14.8608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3598  -14.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3598  -10.9307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3753   -9.2628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5272   -7.7021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9218   -6.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9066   -6.1462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0885   -3.2593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6305   -2.3102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0105   -1.2363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4405   -0.9072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2379   -2.8513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9282   -3.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1305   -3.1762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5105   -0.3703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9405   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1305   -0.3703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6305    0.4957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8456   -1.3747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8456   -2.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6990   -1.7469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3005   -1.0567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6254    4.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8330    5.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4345    6.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8933    6.6707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0919    5.3858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8889    5.3858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0229    6.8357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2258    6.8357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3598    5.3858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1569    5.3858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2817    6.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6803    5.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5029    7.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1044    7.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4157    7.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8142    7.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6369    8.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2383    9.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5497    9.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9482    8.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7708   10.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3723   10.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6928   11.3357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8957   11.3357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1182   10.8977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8913   10.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7382    9.8238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1010    8.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7024    9.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0138    9.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4123    8.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2349   10.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8364   10.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1477   10.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5463   10.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3689   11.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9704   12.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2817   12.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6803   11.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5029   13.2531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1044   13.9433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4157   13.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8142   13.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6369   14.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2383   15.4433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5497   15.4684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9482   14.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7803   16.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603   16.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5403   16.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2025    2.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6010    2.8345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9123    2.8094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5138    2.1191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3364    0.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7349    1.3345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598    0.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6568    0.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    1.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    1.7017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1277    0.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    0.2518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    1.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    1.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957    0.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1927    0.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    1.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    1.7018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.2519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061    1.7638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8861    0.6899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 34 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  1  0  0  0  0
 52 70  1  0  0  0  0
 70 71  1  0  0  0  0
 26 70  1  0  0  0  0
 23 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 21 74  1  0  0  0  0
 74 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 76 78  1  0  0  0  0
 76 79  2  0  0  0  0
 73 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
 82 83  1  0  0  0  0
 83 84  1  0  0  0  0
 83 85  2  0  0  0  0
 82 86  1  0  0  0  0
 86 87  1  0  0  0  0
 87 88  1  0  0  0  0
 88 89  1  0  0  0  0
 88 90  1  0  0  0  0
 90 91  1  0  0  0  0
 87 92  1  0  0  0  0
 92 93  1  0  0  0  0
 93 94  1  0  0  0  0
 94 95  1  0  0  0  0
 95 96  1  0  0  0  0
 96 97  1  0  0  0  0
 97 98  1  0  0  0  0
 98 99  1  0  0  0  0
 97100  1  0  0  0  0
 96101  1  0  0  0  0
101102  1  0  0  0  0
102103  1  0  0  0  0
103104  1  0  0  0  0
104105  1  0  0  0  0
105106  1  0  0  0  0
106107  1  0  0  0  0
107108  1  0  0  0  0
108109  1  0  0  0  0
109110  1  0  0  0  0
110111  1  0  0  0  0
111112  1  0  0  0  0
112113  1  0  0  0  0
113114  1  0  0  0  0
114115  1  0  0  0  0
113116  1  0  0  0  0
112117  1  0  0  0  0
117118  1  0  0  0  0
118119  1  0  0  0  0
118120  1  0  0  0  0
110120  1  0  0  0  0
120121  1  0  0  0  0
117122  1  0  0  0  0
107123  1  0  0  0  0
106124  1  0  0  0  0
124125  1  0  0  0  0
125126  1  0  0  0  0
126127  1  0  0  0  0
127128  1  0  0  0  0
128129  1  0  0  0  0
129130  1  0  0  0  0
130131  1  0  0  0  0
131132  1  0  0  0  0
132133  1  0  0  0  0
133134  1  0  0  0  0
134135  1  0  0  0  0
135136  1  0  0  0  0
136137  1  0  0  0  0
137138  1  0  0  0  0
136139  1  0  0  0  0
139140  1  0  0  0  0
139141  1  0  0  0  0
141142  1  0  0  0  0
141143  1  0  0  0  0
143144  1  0  0  0  0
134143  1  0  0  0  0
131145  1  0  0  0  0
127145  1  0  0  0  0
130146  1  0  0  0  0
129147  1  0  0  0  0
128148  1  0  0  0  0
125149  1  0  0  0  0
104149  1  0  0  0  0
149150  1  0  0  0  0
124151  1  0  0  0  0
151152  1  0  0  0  0
152153  1  0  0  0  0
152154  2  0  0  0  0
152155  1  0  0  0  0
102156  1  0  0  0  0
 94156  1  0  0  0  0
156157  1  0  0  0  0
101158  1  0  0  0  0
158159  1  0  0  0  0
159160  1  0  0  0  0
159161  2  0  0  0  0
159162  1  0  0  0  0
 92163  1  0  0  0  0
163164  1  0  0  0  0
164165  1  0  0  0  0
165166  1  0  0  0  0
166167  2  0  0  0  0
166168  1  0  0  0  0
165169  1  0  0  0  0
169170  1  0  0  0  0
170171  1  0  0  0  0
171172  1  0  0  0  0
171173  1  0  0  0  0
173174  1  0  0  0  0
170175  1  0  0  0  0
175176  1  0  0  0  0
175177  1  0  0  0  0
177178  1  0  0  0  0
177179  1  0  0  0  0
165179  1  0  0  0  0
163180  1  0  0  0  0
 82180  1  0  0  0  0
 22181  1  0  0  0  0
181182  1  0  0  0  0
182183  1  0  0  0  0
183184  1  0  0  0  0
184185  1  0  0  0  0
185186  1  0  0  0  0
186187  1  0  0  0  0
187188  1  0  0  0  0
188189  1  0  0  0  0
189190  1  0  0  0  0
190191  1  0  0  0  0
191192  1  0  0  0  0
192193  1  0  0  0  0
193194  1  0  0  0  0
194195  1  0  0  0  0
184196  1  0  0  0  0
196197  1  0  0  0  0
197198  1  0  0  0  0
198199  1  0  0  0  0
199200  1  0  0  0  0
200201  1  0  0  0  0
201202  1  0  0  0  0
202203  1  0  0  0  0
203204  1  0  0  0  0
204205  1  0  0  0  0
205206  1  0  0  0  0
206207  1  0  0  0  0
207208  1  0  0  0  0
197209  2  0  0  0  0
182210  2  0  0  0  0
 19211  2  0  0  0  0
 17212  1  0  0  0  0
212213  1  0  0  0  0
213214  1  0  0  0  0
214215  1  0  0  0  0
215216  1  0  0  0  0
216217  1  0  0  0  0
217218  1  0  0  0  0
218219  1  0  0  0  0
219220  1  0  0  0  0
220221  1  0  0  0  0
221222  1  0  0  0  0
  1223  1  0  0  0  0
  1224  1  0  0  0  0
  1225  1  0  0  0  0
  2226  1  0  0  0  0
  2227  1  0  0  0  0
  3228  1  0  0  0  0
  3229  1  0  0  0  0
  4230  1  0  0  0  0
  4231  1  0  0  0  0
  5232  1  0  0  0  0
  5233  1  0  0  0  0
  6234  1  0  0  0  0
  6235  1  0  0  0  0
  7236  1  0  0  0  0
  7237  1  0  0  0  0
  8238  1  0  0  0  0
  8239  1  0  0  0  0
  9240  1  0  0  0  0
  9241  1  0  0  0  0
 10242  1  0  0  0  0
 10243  1  0  0  0  0
 11244  1  0  0  0  0
 11245  1  0  0  0  0
 12246  1  0  0  0  0
 12247  1  0  0  0  0
 13248  1  0  0  0  0
 13249  1  0  0  0  0
 17250  1  0  0  0  0
 18251  1  0  0  0  0
 18252  1  0  0  0  0
 21253  1  0  0  0  0
 22254  1  0  0  0  0
 23255  1  0  0  0  0
 25256  1  0  0  0  0
 25257  1  0  0  0  0
 26258  1  0  0  0  0
 28259  1  0  0  0  0
 34260  1  0  0  0  0
 35261  1  0  0  0  0
 38262  1  0  0  0  0
 38263  1  0  0  0  0
 39264  1  0  0  0  0
 40265  1  0  0  0  0
 41266  1  0  0  0  0
 41267  1  0  0  0  0
 42268  1  0  0  0  0
 42269  1  0  0  0  0
 43270  1  0  0  0  0
 43271  1  0  0  0  0
 44272  1  0  0  0  0
 44273  1  0  0  0  0
 45274  1  0  0  0  0
 45275  1  0  0  0  0
 46276  1  0  0  0  0
 46277  1  0  0  0  0
 47278  1  0  0  0  0
 47279  1  0  0  0  0
 48280  1  0  0  0  0
 48281  1  0  0  0  0
 49282  1  0  0  0  0
 49283  1  0  0  0  0
 50284  1  0  0  0  0
 50285  1  0  0  0  0
 51286  1  0  0  0  0
 51287  1  0  0  0  0
 51288  1  0  0  0  0
 52289  1  0  0  0  0
 56290  1  0  0  0  0
 56291  1  0  0  0  0
 57292  1  0  0  0  0
 58293  1  0  0  0  0
 59294  1  0  0  0  0
 59295  1  0  0  0  0
 60296  1  0  0  0  0
 60297  1  0  0  0  0
 61298  1  0  0  0  0
 61299  1  0  0  0  0
 62300  1  0  0  0  0
 62301  1  0  0  0  0
 63302  1  0  0  0  0
 63303  1  0  0  0  0
 64304  1  0  0  0  0
 64305  1  0  0  0  0
 65306  1  0  0  0  0
 65307  1  0  0  0  0
 66308  1  0  0  0  0
 66309  1  0  0  0  0
 67310  1  0  0  0  0
 67311  1  0  0  0  0
 68312  1  0  0  0  0
 68313  1  0  0  0  0
 69314  1  0  0  0  0
 69315  1  0  0  0  0
 69316  1  0  0  0  0
 70317  1  0  0  0  0
 71318  1  0  0  0  0
 73319  1  0  0  0  0
 74320  1  0  0  0  0
 80321  1  0  0  0  0
 80322  1  0  0  0  0
 87323  1  0  0  0  0
 88324  1  0  0  0  0
 89325  1  0  0  0  0
 90326  1  0  0  0  0
 90327  1  0  0  0  0
 91328  1  0  0  0  0
 92329  1  0  0  0  0
 94330  1  0  0  0  0
 96331  1  0  0  0  0
 97332  1  0  0  0  0
 98333  1  0  0  0  0
 98334  1  0  0  0  0
 99335  1  0  0  0  0
100336  1  0  0  0  0
101337  1  0  0  0  0
102338  1  0  0  0  0
104339  1  0  0  0  0
106340  1  0  0  0  0
107341  1  0  0  0  0
108342  1  0  0  0  0
108343  1  0  0  0  0
110344  1  0  0  0  0
112345  1  0  0  0  0
113346  1  0  0  0  0
114347  1  0  0  0  0
114348  1  0  0  0  0
115349  1  0  0  0  0
116350  1  0  0  0  0
117351  1  0  0  0  0
118352  1  0  0  0  0
119353  1  0  0  0  0
120354  1  0  0  0  0
121355  1  0  0  0  0
122356  1  0  0  0  0
123357  1  0  0  0  0
124358  1  0  0  0  0
125359  1  0  0  0  0
127360  1  0  0  0  0
128361  1  0  0  0  0
129362  1  0  0  0  0
130363  1  0  0  0  0
131364  1  0  0  0  0
132365  1  0  0  0  0
132366  1  0  0  0  0
134367  1  0  0  0  0
136368  1  0  0  0  0
137369  1  0  0  0  0
137370  1  0  0  0  0
138371  1  0  0  0  0
139372  1  0  0  0  0
140373  1  0  0  0  0
141374  1  0  0  0  0
142375  1  0  0  0  0
143376  1  0  0  0  0
144377  1  0  0  0  0
146378  1  0  0  0  0
147379  1  0  0  0  0
148380  1  0  0  0  0
149381  1  0  0  0  0
150382  1  0  0  0  0
156383  1  0  0  0  0
157384  1  0  0  0  0
163385  1  0  0  0  0
170386  1  0  0  0  0
171387  1  0  0  0  0
172388  1  0  0  0  0
173389  1  0  0  0  0
173390  1  0  0  0  0
174391  1  0  0  0  0
175392  1  0  0  0  0
176393  1  0  0  0  0
177394  1  0  0  0  0
178395  1  0  0  0  0
179396  1  0  0  0  0
179397  1  0  0  0  0
180398  1  0  0  0  0
180399  1  0  0  0  0
181400  1  0  0  0  0
183401  1  0  0  0  0
183402  1  0  0  0  0
184403  1  0  0  0  0
185404  1  0  0  0  0
185405  1  0  0  0  0
186406  1  0  0  0  0
186407  1  0  0  0  0
187408  1  0  0  0  0
187409  1  0  0  0  0
188410  1  0  0  0  0
188411  1  0  0  0  0
189412  1  0  0  0  0
189413  1  0  0  0  0
190414  1  0  0  0  0
190415  1  0  0  0  0
191416  1  0  0  0  0
191417  1  0  0  0  0
192418  1  0  0  0  0
192419  1  0  0  0  0
193420  1  0  0  0  0
193421  1  0  0  0  0
194422  1  0  0  0  0
194423  1  0  0  0  0
195424  1  0  0  0  0
195425  1  0  0  0  0
195426  1  0  0  0  0
198427  1  0  0  0  0
198428  1  0  0  0  0
199429  1  0  0  0  0
199430  1  0  0  0  0
200431  1  0  0  0  0
200432  1  0  0  0  0
201433  1  0  0  0  0
201434  1  0  0  0  0
202435  1  0  0  0  0
202436  1  0  0  0  0
203437  1  0  0  0  0
203438  1  0  0  0  0
204439  1  0  0  0  0
204440  1  0  0  0  0
205441  1  0  0  0  0
205442  1  0  0  0  0
206443  1  0  0  0  0
206444  1  0  0  0  0
207445  1  0  0  0  0
207446  1  0  0  0  0
208447  1  0  0  0  0
208448  1  0  0  0  0
208449  1  0  0  0  0
212450  1  0  0  0  0
212451  1  0  0  0  0
213452  1  0  0  0  0
213453  1  0  0  0  0
214454  1  0  0  0  0
214455  1  0  0  0  0
215456  1  0  0  0  0
215457  1  0  0  0  0
216458  1  0  0  0  0
216459  1  0  0  0  0
217460  1  0  0  0  0
217461  1  0  0  0  0
218462  1  0  0  0  0
218463  1  0  0  0  0
219464  1  0  0  0  0
219465  1  0  0  0  0
220466  1  0  0  0  0
220467  1  0  0  0  0
221468  1  0  0  0  0
221469  1  0  0  0  0
222470  1  0  0  0  0
222471  1  0  0  0  0
222472  1  0  0  0  0
M  CHG  8  31  -1  33  -1  77  -1  78  -1  84  -1 153  -1 155  -1 160  -1
M  CHG  2 162  -1 168  -1
M  END
> <UNIQUE_SMILES>
CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)C(OCC2OC(O[P]([O-])([O-])=O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C2O)OC(COC3(CC(OC4(CC(O)C(O)C(O4)C(O)CO)C([O-])=O)C(OC5OC(C(O)CO)C(O[P]([O-])([O-])=O)C(OC6OC(C(O)COC7OC(C(O)CO)C(O)C(O)C7O)C(O[P]([O-])([O-])=O)C(OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)C6O)C5O)C(O3)C(O)CO)C([O-])=O)C1O[P]([O-])([O-])=O

> <USER_SUPPLIED_SMILES>
CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC9(C([O-])=O)(OC(C(O)CO)C(OC7(OC(C(CO)O)C(C(OC6(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC5(C(C(C(C(COC4(OC(CO)C(O)C(O)C(O)4))O5)O)O)O))C6O)OP([O-])(=O)[O-]))C7O)OP([O-])(=O)[O-]))C(OC8(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C8))C9))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC

$$$$
