
     RDKit          3D

 82 85  0  0  0  0  0  0  0  0999 V2000
   11.8481    1.4413    0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6246    1.8916   -0.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2722    2.2679   -0.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4288    1.0812   -1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2964    0.7494   -0.4145 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276   -0.3618   -1.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6664   -1.1334   -0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098   -0.6440   -1.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1255   -0.6496   -1.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033   -1.7378   -0.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7781   -2.4875    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8113   -3.6366    0.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620   -1.9483   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2866   -2.4037    0.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044   -1.7871    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7768   -2.4247   -0.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9513   -1.8341   -1.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3809   -0.5879   -0.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6279    0.0343    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282   -0.5540    0.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944    1.3199    0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4503    1.2068    1.3233 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5842    0.2595    2.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4768    0.3978    3.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7320   -1.1934    1.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9656    2.5535    1.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3859    3.3036    0.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    4.3430    0.1087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4724    2.8567   -0.3822 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3174    1.7174   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3088    1.3655   -1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8485    0.1673   -1.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5434    0.4244   -2.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4038   -0.5375   -2.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5417    0.0413   -1.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0747   -1.9754    0.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2939   -1.0853    0.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7746   -0.6660   -2.0869 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6934    0.2488   -2.0311 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1892    0.5775    1.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7064    2.2682    1.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9013    1.1020    0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8608    2.7911    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2172    2.9827   -1.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -2.1960   -1.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775   -1.2956   -2.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6960    0.3850   -2.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574    0.3216   -0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3616   -0.7461   -1.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4977   -0.8356   -0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -2.3088   -1.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2046   -3.5129    0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4677   -2.1119    1.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640   -3.3759   -1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5148   -2.3528   -2.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8377   -0.0634    1.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1038    2.0741   -0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3616    1.6991    1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5432    0.4557    2.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956    0.0619    3.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7215   -0.2383    4.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3974    1.4512    3.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7544   -1.6496    1.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4266   -1.2383    1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1610   -1.8252    2.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8588    2.4972    2.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1976    3.1297    2.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6499    3.3809   -1.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6858    0.8392    0.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8765    1.9703    0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5153    2.2447   -1.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2832    1.0858   -0.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6650   -0.0622   -2.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7593   -0.7180   -1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7792    0.2952   -3.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1891    1.4716   -2.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8081   -0.7469   -3.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7981   -1.5149   -2.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3931   -3.0418    0.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6906   -1.7833    1.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0651   -0.0433    0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1476   -1.4467    1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 22 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 10 36  1  0
 36 37  1  0
  6 38  2  0
 38 39  1  0
 39  4  1  0
 37  7  1  0
 20 15  1  0
 35 18  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 13 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 16 54  1  0
 17 55  1  0
 20 56  1  0
 21 57  1  0
 21 58  1  0
 23 59  1  0
 24 60  1  0
 24 61  1  0
 24 62  1  0
 25 63  1  0
 25 64  1  0
 25 65  1  0
 26 66  1  0
 26 67  1  0
 29 68  1  0
 30 69  1  0
 30 70  1  0
 31 71  1  0
 31 72  1  0
 32 73  1  0
 32 74  1  0
 33 75  1  0
 33 76  1  0
 34 77  1  0
 34 78  1  0
 36 79  1  0
 36 80  1  0
 37 81  1  0
 37 82  1  0
M  END
$$$$
