C55H89O7P2
APtclcactv03241713412D 0   0.00000     0.00000
 
153152  0  0  0  0  0  0  0  0999 V2000
    2.0000   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7846   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6506   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6506    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3827   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2487   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1147   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9808   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8468   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7128   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5788   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4449   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3109   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1769   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0429   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9090   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7750   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6410   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5070   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3731   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2391   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1051   -0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.9711   -0.0670    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   41.8372    0.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.7032   -0.0670    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   43.5692   -0.5670    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   43.2032    0.7990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   42.2032   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.4711    0.7990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   41.4711   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5070    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0429    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5788    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1147    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.1039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8530    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7190   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3171    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5201    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3861   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1831   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2706    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6506    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0306    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7812    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9842    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8502   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6472   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9808   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2453    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4483    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3143   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1113   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4449   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7094    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.9124    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7784   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5754   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9090   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.1735    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.3765    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.2425   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.0395   -1.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.3731   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.6376    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.8406    0.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.1270    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.5070    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.8870    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.6629    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.0429    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.4229    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.1988    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5788    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9588    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7347    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1147    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4947    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8065    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5665    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3424    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1024    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8783    0.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6383    0.9330    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
  2  4  2  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
  7  9  2  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
 12 14  2  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  2  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  2  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  2  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
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  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
 38 39  2  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  2  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  2  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
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
 52 55  2  0  0  0  0
 50 56  1  0  0  0  0
 50 57  2  0  0  0  0
 46 58  1  0  0  0  0
 42 59  1  0  0  0  0
 38 60  1  0  0  0  0
 34 61  1  0  0  0  0
 25 62  1  0  0  0  0
 21 63  1  0  0  0  0
 17 64  1  0  0  0  0
  1 65  1  0  0  0  0
  1 66  1  0  0  0  0
  1 67  1  0  0  0  0
  3 68  1  0  0  0  0
  3 69  1  0  0  0  0
  3 70  1  0  0  0  0
  4 71  1  0  0  0  0
  5 72  1  0  0  0  0
  5 73  1  0  0  0  0
  6 74  1  0  0  0  0
  6 75  1  0  0  0  0
  8 76  1  0  0  0  0
  8 77  1  0  0  0  0
  8 78  1  0  0  0  0
  9 79  1  0  0  0  0
 10 80  1  0  0  0  0
 10 81  1  0  0  0  0
 11 82  1  0  0  0  0
 11 83  1  0  0  0  0
 13 84  1  0  0  0  0
 13 85  1  0  0  0  0
 13 86  1  0  0  0  0
 14 87  1  0  0  0  0
 15 88  1  0  0  0  0
 15 89  1  0  0  0  0
 16 90  1  0  0  0  0
 16 91  1  0  0  0  0
 18 92  1  0  0  0  0
 19 93  1  0  0  0  0
 19 94  1  0  0  0  0
 20 95  1  0  0  0  0
 20 96  1  0  0  0  0
 22 97  1  0  0  0  0
 23 98  1  0  0  0  0
 23 99  1  0  0  0  0
 24100  1  0  0  0  0
 24101  1  0  0  0  0
 26102  1  0  0  0  0
 27103  1  0  0  0  0
 27104  1  0  0  0  0
 28105  1  0  0  0  0
 28106  1  0  0  0  0
 30107  1  0  0  0  0
 30108  1  0  0  0  0
 30109  1  0  0  0  0
 31110  1  0  0  0  0
 32111  1  0  0  0  0
 32112  1  0  0  0  0
 33113  1  0  0  0  0
 33114  1  0  0  0  0
 35115  1  0  0  0  0
 36116  1  0  0  0  0
 36117  1  0  0  0  0
 37118  1  0  0  0  0
 37119  1  0  0  0  0
 39120  1  0  0  0  0
 40121  1  0  0  0  0
 40122  1  0  0  0  0
 41123  1  0  0  0  0
 41124  1  0  0  0  0
 43125  1  0  0  0  0
 44126  1  0  0  0  0
 44127  1  0  0  0  0
 45128  1  0  0  0  0
 45129  1  0  0  0  0
 47130  1  0  0  0  0
 48131  1  0  0  0  0
 48132  1  0  0  0  0
 58133  1  0  0  0  0
 58134  1  0  0  0  0
 58135  1  0  0  0  0
 59136  1  0  0  0  0
 59137  1  0  0  0  0
 59138  1  0  0  0  0
 60139  1  0  0  0  0
 60140  1  0  0  0  0
 60141  1  0  0  0  0
 61142  1  0  0  0  0
 61143  1  0  0  0  0
 61144  1  0  0  0  0
 62145  1  0  0  0  0
 62146  1  0  0  0  0
 62147  1  0  0  0  0
 63148  1  0  0  0  0
 63149  1  0  0  0  0
 63150  1  0  0  0  0
 64151  1  0  0  0  0
 64152  1  0  0  0  0
 64153  1  0  0  0  0
M  CHG  3  53  -1  54  -1  56  -1
M  END
> <UNIQUE_SMILES>
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P]([O-])(=O)O[P]([O-])([O-])=O

> <USER_SUPPLIED_SMILES>
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])([O-])=O)([O-])=O)C)C)C)C)C)C)C

$$$$
