
     RDKit          3D

 95 97  0  0  0  0  0  0  0  0999 V2000
    2.7049    6.9096    2.6676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046    5.6193    2.6766 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8922    4.8372    1.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2491    5.2745    0.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0217    4.4550   -0.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4383    3.1972   -0.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    2.7441    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4198    1.3796    0.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1637    1.3898    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417    2.4903    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8152    3.9189    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0516    2.4920   -1.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7848   -0.0321    0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8070   -0.2993    1.8937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3260   -0.6000    3.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2387   -0.6739    4.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0962   -0.8085    3.4250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2577   -0.0810    1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8373   -0.7601    0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1553   -0.2440    0.2385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5370   -0.1247   -1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9031   -2.3249    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0643   -2.8114    1.5093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5568   -3.0169   -0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2684   -4.2229   -1.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0469   -3.2591   -1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512   -3.3261   -2.4456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3575   -3.2063   -2.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9153   -1.7253   -2.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2050   -1.4867   -1.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5193    0.0139   -1.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0499    0.3377   -0.0891 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3830   -0.1247    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8995    0.2921    1.3673 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1592   -1.1243   -0.5467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660   -1.2494   -0.1549 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4372   -2.1537   -0.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1802   -2.8154   -2.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2654   -3.5385   -2.3801 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1879   -3.3559   -1.4443 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008   -3.9895   -1.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7135   -2.5296   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4745   -2.0582    0.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008    3.5769    1.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0970    7.6091    2.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7564    7.2935    3.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7348    6.8466    2.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7067    6.2427    0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3016    4.7954   -1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808    2.5932   -1.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248    1.0843    1.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3038    1.6580    2.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872    2.2690    0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7107    4.5440    0.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510    3.9205    1.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9610    4.4102    0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0588    2.7504   -1.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7714    3.2578   -1.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4056    1.5204   -1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -0.7939    0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1697   -0.1872   -0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8354    0.2596    4.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6522   -0.7842    5.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110   -1.5535    4.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4587    1.0075    1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8693   -0.4479    2.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2057   -0.4633   -0.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7892    0.4387   -1.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4830    0.4494   -1.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7461   -1.1218   -1.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9599   -2.5860    0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4105   -3.7072    1.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8862   -2.3568   -1.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0032   -4.8234   -0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7475   -4.2107   -0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4931   -2.4354   -0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1280   -3.6251   -3.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7797   -3.8346   -1.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5543   -1.4269   -3.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7869   -1.0765   -2.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0991   -2.0151   -1.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661   -1.9461   -0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.3374   -2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3867    0.5914   -1.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6853   -2.1182   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247   -0.8141   -1.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9493   -0.7366    0.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2725   -2.7666   -2.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873   -4.7139   -0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6403   -4.5330   -2.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2975   -3.2180   -1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9187   -1.0638    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7939   -1.9818    1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2801   -2.7728    0.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0185    3.2495    2.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
  7 44  2  0
 44  3  1  0
 32  8  1  0
 42 37  2  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  0
  5 49  1  0
  6 50  1  0
  8 51  1  0
  9 52  1  0
 10 53  1  0
 11 54  1  0
 11 55  1  0
 11 56  1  0
 12 57  1  0
 12 58  1  0
 12 59  1  0
 13 60  1  0
 13 61  1  0
 16 62  1  0
 16 63  1  0
 16 64  1  0
 18 65  1  0
 18 66  1  0
 19 67  1  0
 21 68  1  0
 21 69  1  0
 21 70  1  0
 22 71  1  0
 23 72  1  0
 24 73  1  0
 25 74  1  0
 26 75  1  0
 26 76  1  0
 28 77  1  0
 28 78  1  0
 29 79  1  0
 29 80  1  0
 30 81  1  0
 30 82  1  0
 31 83  1  0
 31 84  1  0
 35 85  1  0
 35 86  1  0
 36 87  1  0
 38 88  1  0
 41 89  1  0
 41 90  1  0
 41 91  1  0
 43 92  1  0
 43 93  1  0
 43 94  1  0
 44 95  1  0
M  END
$$$$
