C32H48N7O18P3S
APtclcactv03241713482D 0   0.00000     0.00000
 
109111  0  0  0  0  0  0  0  0999 V2000
    2.0000   11.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9778   10.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2852    9.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2629    9.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5703    8.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5481    8.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8555    7.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8333    7.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1406    6.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4702    5.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1184    6.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4258    5.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7554    4.5268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4036    5.0592    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7109    4.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6887    3.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9961    2.9464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9739    2.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6443    3.4788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2813    1.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2590    1.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5664    0.6241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5442    0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2146    1.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8516   -0.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1812   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8294   -0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0390    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6198   -1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8071   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1145   -1.9079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0923   -2.1175    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.8827   -3.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0701   -2.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3775   -3.2787    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.3290   -2.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6848   -4.2303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6626   -4.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9700   -5.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9205   -5.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7305   -5.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6277   -4.1211    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.5249   -3.1264    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.6330   -4.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6224   -4.0183    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.9188   -6.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7268   -7.2914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9672   -7.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3808   -6.1995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6565   -7.9601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7103   -8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7103   -9.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8443   -9.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8443  -10.7648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9783   -9.2648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9783   -8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8443   -7.7648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6565   -9.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2401   -8.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4259   -3.5861    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.3019   -1.1398    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1300   11.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3938   11.2048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700   10.4686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5919   10.9504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0005   11.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6710    9.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    9.2940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8771    9.7892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2857   10.3236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562    8.6672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5476    8.1328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622    8.6280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5708    9.1624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4398    7.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2489    7.8416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7325    6.3056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    6.8400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0968    4.0224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6882    3.4881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3028    3.9833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7114    4.5176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5804    2.4864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6671    1.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2585    1.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8732    1.6609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2818    2.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1508    0.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0421   -1.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -1.1492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6452    0.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1689    0.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4327    0.3610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0135   -1.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4898   -2.3308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2260   -1.8545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4213   -0.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8299   -0.3368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2767   -4.3547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6853   -3.8203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3578   -5.2935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8246   -5.0896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4717   -6.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2936   -7.0402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4048   -7.4487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3073  -11.0748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3812  -11.0748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4413   -7.9548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8601   -8.7648    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 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  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 42 45  1  0  0  0  0
 40 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 39 49  1  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 51 57  1  0  0  0  0
 52 58  1  0  0  0  0
 58 59  2  0  0  0  0
 50 59  1  0  0  0  0
 35 60  1  0  0  0  0
 32 61  1  0  0  0  0
  1 62  1  0  0  0  0
  1 63  1  0  0  0  0
  1 64  1  0  0  0  0
  2 65  1  0  0  0  0
  2 66  1  0  0  0  0
  3 67  1  0  0  0  0
  3 68  1  0  0  0  0
  4 69  1  0  0  0  0
  4 70  1  0  0  0  0
  5 71  1  0  0  0  0
  5 72  1  0  0  0  0
  6 73  1  0  0  0  0
  6 74  1  0  0  0  0
  7 75  1  0  0  0  0
  8 76  1  0  0  0  0
 11 77  1  0  0  0  0
 11 78  1  0  0  0  0
 15 79  1  0  0  0  0
 15 80  1  0  0  0  0
 16 81  1  0  0  0  0
 16 82  1  0  0  0  0
 17 83  1  0  0  0  0
 20 84  1  0  0  0  0
 20 85  1  0  0  0  0
 21 86  1  0  0  0  0
 21 87  1  0  0  0  0
 22 88  1  0  0  0  0
 25 89  1  0  0  0  0
 26 90  1  0  0  0  0
 28 91  1  0  0  0  0
 28 92  1  0  0  0  0
 28 93  1  0  0  0  0
 29 94  1  0  0  0  0
 29 95  1  0  0  0  0
 29 96  1  0  0  0  0
 30 97  1  0  0  0  0
 30 98  1  0  0  0  0
 38 99  1  0  0  0  0
 38100  1  0  0  0  0
 39101  1  0  0  0  0
 40102  1  0  0  0  0
 46103  1  0  0  0  0
 47104  1  0  0  0  0
 48105  1  0  0  0  0
 54106  1  0  0  0  0
 54107  1  0  0  0  0
 56108  1  0  0  0  0
 59109  1  0  0  0  0
M  CHG  4  43  -1  45  -1  60  -1  61  -1
M  END
> <UNIQUE_SMILES>
CCCCCCC=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OCC1OC(C(O)C1O[P]([O-])([O-])=O)[N]2C=NC3=C2N=CN=C3N

> <USER_SUPPLIED_SMILES>
CCCCCCC=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

$$$$
