C48H72N7O18P3S
APtclcactv03241713432D 0   0.00000     0.00000
 
149155  0  0  0  0  0  0  0  0999 V2000
    7.9821   -5.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -6.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9391   -5.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9176   -5.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2283   -4.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5605   -3.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2068   -4.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5175   -3.2312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4960   -3.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8066   -2.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7851   -1.8682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0958   -0.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4280   -0.1734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0743   -0.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3850    0.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3635    0.4453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6741    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0063    2.1401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6527    1.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    0.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9633    2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9138    2.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0128    2.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2740    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2525    3.7093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5631    4.6598    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.6126    4.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8738    5.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8523    5.8165    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.0585    4.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8308    6.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1415    6.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1200    7.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8620    6.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7557    5.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5637    4.9256    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   26.3717    4.3364    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   26.1529    5.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9745    4.1176    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   25.7289    7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6417    6.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5226    7.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5283    8.0923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1931    8.7281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1814    8.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5882    9.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5827    9.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9894   10.5532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1705    8.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7637    7.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7692    7.8126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8477   10.1984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9872    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6461    6.7950    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.5137    4.3491    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.8747   -4.9260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -7.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9518   -7.5557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9229   -8.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393   -9.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -8.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4587   -9.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271   -9.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0664   -9.7625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5431  -10.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6451  -11.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7430  -10.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076  -11.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679  -10.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000  -11.0090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8763   -9.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -8.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7510   -9.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -8.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -8.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1980   -8.6466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6610   -7.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271   -7.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -7.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -6.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4436   -5.5430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5681   -5.4956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5207   -6.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0433   -6.8292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6490   -7.1148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2423   -6.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9186   -4.9250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3253   -5.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382   -5.9581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5315   -5.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4209   -3.7986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0219   -3.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1464   -3.1821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0990   -4.0577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5165   -3.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1098   -3.1123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7861   -1.4548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1928   -1.9871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1992   -2.3297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0949   -1.3311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6881   -0.7988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3644    0.8587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7712    0.3264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7775   -0.0162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2593    1.7299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9272    0.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7212    1.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5032    2.0493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1064    2.8312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2054    3.4525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4235    3.0558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8202    2.2739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2534    4.1227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6602    3.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1209    7.5929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5277    7.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7306    7.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2828    6.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2114    7.3969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7054    5.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1212    7.8246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.6060   10.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6250   11.0548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1282    7.4155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4208    9.9528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -8.8714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -8.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0883   -9.8283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8767   -9.5706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7611  -11.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523  -10.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478  -11.5019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0460  -11.4988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100  -11.6748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -8.8421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -9.5287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2324   -8.4327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4343   -8.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3787   -8.4683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7635   -7.8435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   -8.4587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4490   -7.3740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0505   -8.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9256   -6.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1285   -6.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0131   -6.9566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -6.3366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7731   -6.9566    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
  6  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  2  0  0  0  0
 13 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
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 37 40  1  0  0  0  0
 35 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 34 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  2  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
 46 52  1  0  0  0  0
 47 53  1  0  0  0  0
 53 54  2  0  0  0  0
 45 54  1  0  0  0  0
 30 55  1  0  0  0  0
 27 56  1  0  0  0  0
  8 57  2  0  0  0  0
  2 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 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
 62 64  1  0  0  0  0
 64 65  1  0  0  0  0
 64 66  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 68 69  2  0  0  0  0
 69 70  1  0  0  0  0
 70 71  2  0  0  0  0
 70 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 74 75  1  0  0  0  0
 68 74  1  0  0  0  0
 74 76  1  0  0  0  0
 76 77  1  0  0  0  0
 76 78  1  0  0  0  0
 78 79  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 58 80  1  0  0  0  0
 62 80  1  0  0  0  0
 64 76  1  0  0  0  0
  1 82  1  0  0  0  0
  1 83  1  0  0  0  0
  1 84  1  0  0  0  0
  2 85  1  0  0  0  0
  3 86  1  0  0  0  0
  3 87  1  0  0  0  0
  4 88  1  0  0  0  0
  4 89  1  0  0  0  0
  5 90  1  0  0  0  0
  5 91  1  0  0  0  0
  6 92  1  0  0  0  0
  7 93  1  0  0  0  0
  7 94  1  0  0  0  0
  7 95  1  0  0  0  0
 10 96  1  0  0  0  0
 10 97  1  0  0  0  0
 11 98  1  0  0  0  0
 11 99  1  0  0  0  0
 12100  1  0  0  0  0
 15101  1  0  0  0  0
 15102  1  0  0  0  0
 16103  1  0  0  0  0
 16104  1  0  0  0  0
 17105  1  0  0  0  0
 20106  1  0  0  0  0
 21107  1  0  0  0  0
 23108  1  0  0  0  0
 23109  1  0  0  0  0
 23110  1  0  0  0  0
 24111  1  0  0  0  0
 24112  1  0  0  0  0
 24113  1  0  0  0  0
 25114  1  0  0  0  0
 25115  1  0  0  0  0
 33116  1  0  0  0  0
 33117  1  0  0  0  0
 34118  1  0  0  0  0
 35119  1  0  0  0  0
 41120  1  0  0  0  0
 42121  1  0  0  0  0
 43122  1  0  0  0  0
 49123  1  0  0  0  0
 49124  1  0  0  0  0
 51125  1  0  0  0  0
 54126  1  0  0  0  0
 60127  1  0  0  0  0
 60128  1  0  0  0  0
 61129  1  0  0  0  0
 61130  1  0  0  0  0
 66131  1  0  0  0  0
 66132  1  0  0  0  0
 67133  1  0  0  0  0
 67134  1  0  0  0  0
 69135  1  0  0  0  0
 72136  1  0  0  0  0
 72137  1  0  0  0  0
 73138  1  0  0  0  0
 73139  1  0  0  0  0
 75140  1  0  0  0  0
 75141  1  0  0  0  0
 75142  1  0  0  0  0
 78143  1  0  0  0  0
 78144  1  0  0  0  0
 79145  1  0  0  0  0
 79146  1  0  0  0  0
 81147  1  0  0  0  0
 81148  1  0  0  0  0
 81149  1  0  0  0  0
M  CHG  4  38  -1  40  -1  55  -1  56  -1
M  END
> <UNIQUE_SMILES>
CC(CCCC(C)C(=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)C4CCC5C6CCC7=CC(=O)CCC7(C)C6CCC45C

> <USER_SUPPLIED_SMILES>
CC(CCCC(C)C(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-])=O)[CH]5(CC[CH]6([CH]7(CCC4(=CC(=O)CCC(C)4[CH](CCC(C)56)7))))

$$$$
