DRG07047
     RDKit          3D

 89 91  0  0  1  0  0  0  0  0999 V2000
    0.6082    3.3287    1.2301 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.7577    2.2019    3.3281 C   0  0  0  0  0  1  0  0  0  0  0  0
    7.3392    2.5858   -2.9877 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.9095    3.3585   -1.0921 C   0  0  0  0  0  2  0  0  0  0  0  0
    8.6130   -2.8964    1.8066 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.8578    2.0094    2.0574 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.4267    2.2176   -1.7704 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.4027    4.6757   -0.4349 C   0  0  0  0  0  1  0  0  0  0  0  0
    8.2931   -2.2382    0.4518 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.0825   -2.5347    1.5297 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2286    0.7657    1.7332 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.9741   -0.4095   -0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9247    0.8497   -1.6331 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.7458   -0.7728   -2.0542 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.4042   -1.8460    0.3198 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.1062   -0.3660    1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605   -0.8173    0.1241 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.4771   -0.2536   -2.4216 C   0  0  0  0  0  3  0  0  0  0  0  0
    9.0949   -1.1157   -1.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2599   -1.4776   -0.5233 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7004   -1.2816    0.0109 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3785   -2.0663    0.7885 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.6406    1.2725    3.2560 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.3064    1.0790    0.7085 C   0  0  0  0  0  1  0  0  0  0  0  0
   12.8897   -2.0747   -0.2833 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.3887   -3.4192   -0.0017 C   0  0  0  0  0  1  0  0  0  0  0  0
    4.4229   -2.0753    1.9620 C   0  0  0  0  0  1  0  0  0  0  0  0
    6.5315   -1.3815   -4.5124 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.1212    0.5981    0.0618 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.6541    1.5350    1.1106 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.7065   -3.6378   -0.5582 C   0  0  0  0  0  1  0  0  0  0  0  0
   14.8534    1.1682   -1.3884 C   0  0  0  0  0  1  0  0  0  0  0  0
   10.8615    0.9010    0.4632 C   0  0  0  0  0  1  0  0  0  0  0  0
   15.6316    2.9963    0.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    3.7658    1.3425 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.6921    3.6163    0.2054 C   0  0  0  0  0  3  0  0  0  0  0  0
   14.5379    5.1418    1.1005 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.6660    4.9953   -0.0449 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.5871    5.7578    0.4038 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.7989   -0.8274   -2.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206    0.0253    0.4158 N   0  0  0  0  0  2  0  0  0  0  0  0
    9.2175   -1.7148   -0.3977 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9476   -1.8978   -1.4528 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0891    0.4865    2.0767 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035    0.5016   -0.6348 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6023   -0.6050    0.4369 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.9661   -1.4691    1.8217 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9504   -0.3627   -3.7129 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0196   -0.7944   -2.3753 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2304    1.0194    2.1213 O   0  0  0  0  0  1  0  0  0  0  0  0
   11.8563    0.0859   -0.1662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1455   -7.3794    3.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5287   -5.8197    1.7866 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.2389   -4.6197    1.0732 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.7403   -3.4100    0.1988 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.8858    2.8621   -1.1112 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.8027   -0.8358   -1.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0550   -2.3150   -0.6983 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3830    0.3229   -0.3188 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.8038    1.3971   -1.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1910   -0.3355   -0.9330 C   0  0  0  0  0  3  0  0  0  0  0  0
   -9.9153   -1.8673   -1.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9845   -0.8524   -0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1067    0.3344    0.2604 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.9850   -1.2270   -0.1059 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.2195   -2.0358   -0.7068 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.3817   -0.8515    0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9474   -2.3625   -0.6884 C   0  0  0  0  0  1  0  0  0  0  0  0
  -15.2867   -0.9682    1.4329 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.9196   -2.0340   -0.1564 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.1284   -0.8419    1.0667 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.8547   -0.3740    1.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7513   -6.9370    2.3569 N   0  0  0  0  0  2  0  0  0  0  0  0
   -8.4341   -8.5974    3.9983 N   0  0  0  0  0  1  0  0  0  0  0  0
  -10.0510   -7.0141    4.2906 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3121   -0.3383   -2.4232 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5737    0.9340   -1.3212 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.2884   -0.7582   -1.1756 N   0  0  0  0  0  2  0  0  0  0  0  0
  -16.0912    4.4176   -1.1579 C   0  0  0  0  0  2  0  0  0  0  0  0
  -12.3361   -1.8285   -0.6244 N   0  0  0  0  0  2  0  0  0  0  0  0
  -16.8594    0.8008   -0.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5670   -2.5804   -2.5564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0614   -0.6421    1.8469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -0.7696    0.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4592    5.9299   -1.1980 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.8093    7.3548   -1.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6780    7.6138   -2.2711 N   0  0  0  0  0  2  0  0  0  0  0  0
  -16.2139    8.1059   -0.4905 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4006    8.9186   -2.2041 C   0  0  0  0  0  1  0  0  0  0  0  0
  1  6  1  0
  2  6  1  0
  4  7  1  0
  4  8  1  0
  5  9  1  0
  5 10  1  0
  7  3  1  0
  7 13  1  0
  9 42  1  0
 11  6  1  0
 11 16  1  0
 11 44  1  0
 12 40  2  0
 12 45  1  0
 13 18  1  0
 13 45  1  0
 14 19  1  0
 15 10  1  0
 15 21  1  0
 15 42  1  0
 16 41  1  0
 16 47  2  0
 17 12  1  0
 17 22  1  0
 17 41  1  0
 18 14  1  0
 18 48  1  0
 19 42  1  0
 19 49  2  0
 20 25  1  0
 20 43  2  0
 20 46  1  0
 21 25  1  0
 21 51  1  0
 22 26  1  0
 22 27  1  0
 23 44  1  0
 24 45  1  0
 25 31  1  0
 28 48  1  0
 29 30  1  0
 29 32  1  0
 29 46  1  0
 30 34  1  0
 30 50  1  0
 33 51  1  0
 34 35  2  0
 34 36  1  0
 35 37  1  0
 36 38  2  0
 37 39  2  0
 38 39  1  0
 44 72  1  0
 52 73  1  0
 52 74  1  0
 52 75  2  0
 53 54  1  0
 53 73  1  0
 54 55  1  0
 56 60  1  0
 56 79  1  0
 57 76  2  0
 57 80  1  0
 58 55  1  0
 58 62  1  0
 58 80  1  0
 59 63  2  0
 59 64  1  0
 60 77  1  0
 60 81  2  0
 61 57  1  0
 61 65  1  0
 61 77  1  0
 62 78  1  0
 62 82  2  0
 63 66  1  0
 63 78  1  0
 64 67  2  0
 65 68  1  0
 65 69  1  0
 66 70  2  0
 67 70  1  0
 67 71  1  0
 71 83  1  0
 72 83  1  0
 72 84  2  0
 79 85  1  0
 85 86  1  0
 86 87  1  0
 86 88  2  0
 87 89  1  0
M  RAD  8   1   2   2   2   3   2   4   3   5   3   6   2   7   2   8   2
M  RAD  8   9   3  10   3  11   2  13   2  14   3  15   2  17   2  18   2
M  RAD  8  21   2  22   2  23   2  24   2  25   2  26   2  27   2  28   2
M  RAD  8  29   2  30   2  31   2  32   2  33   2  35   2  36   2  37   2
M  RAD  8  38   2  39   2  41   2  46   2  50   2  53   3  54   3  55   3
M  RAD  8  56   3  58   2  59   2  61   2  64   2  65   2  66   2  68   2
M  RAD  8  69   2  70   2  71   3  73   2  74   3  77   2  78   2  79   3
M  RAD  4  80   2  85   3  87   2  89   2
M  END
$$$$
