C19H25N4O18P2
APtclcactv03241713472D 0   0.00000     0.00000
 
 68 70  0  0  0  0  0  0  0  0999 V2000
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    2.8660   -0.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.4412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0588    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -0.9248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.8072    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0588    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.2942    0.8072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -0.9248    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.6603    0.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3059    0.0345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750    0.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750    1.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8817    2.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4968    1.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7537    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9695    0.6731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5573    1.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5518    1.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9585    0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9531    0.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3708   -0.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3762   -0.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7885   -1.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0588    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.0612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.7512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    2.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    2.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.5337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.5337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4248   -0.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1972    0.1988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0941    1.6761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5173    3.0588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9180    1.2135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8826    2.7113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3051    2.0485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9162    1.8792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6229   -0.9114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.1788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  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  2  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 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
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 22 27  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  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
 29 35  1  0  0  0  0
 11 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  1  0  0  0  0
  5 42  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  4 47  1  0  0  0  0
  5 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7 50  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
 11 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 64  1  0  0  0  0
 34 65  1  0  0  0  0
 38 66  1  0  0  0  0
 42 67  1  0  0  0  0
 43 68  1  0  0  0  0
M  CHG  3  15  -1  19  -1  41  -1
M  END
> <UNIQUE_SMILES>
CC(=O)NC1C(O)C(OC(O[P]([O-])(=O)O[P]([O-])(=O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C1NC(C)=O)C([O-])=O

> <USER_SUPPLIED_SMILES>
CC(=O)NC3(C(NC(=O)C)C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))OC(C(=O)[O-])C(O)3)

$$$$
