
     RDKit          3D

 81 83  0  0  0  0  0  0  0  0999 V2000
    8.6681   -0.6734    0.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6876    0.0618   -0.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2648   -0.0553    0.1332 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9660    0.5111    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4408    0.6415    1.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7236   -0.0936    0.6082 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9590    0.6304   -0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5142    1.5718   -1.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150    0.2684   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298    1.5069   -1.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7568    1.2180   -1.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4521    2.4545   -1.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2005    2.8378   -3.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3607    3.2343   -1.0786 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382    2.7422    0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7319    3.9121    0.8852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4721    3.4111    2.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7152    4.9940    1.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0268    1.6813   -0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0488    2.0090   -0.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7993    0.3092    0.0542 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0157   -0.7894   -0.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5385   -1.1019   -1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2157   -1.4887    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8110   -2.1656   -2.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1832   -2.0187   -0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7947   -1.6720   -0.4192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8510   -2.3285    0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692   -2.7565    1.6866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381   -3.4717    2.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129   -3.7776    1.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476   -3.3366    0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4450   -2.5633   -0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502   -2.0862   -1.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140   -2.8596   -2.4477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -0.7917   -1.6520 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2049   -1.4409    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225   -1.4218   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7029   -0.5348    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4608   -1.7625    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6283   -0.2638    1.6908 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157   -0.3266   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697    1.1383   -0.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3761   -0.1409    2.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    1.5147    1.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1571    0.2261    2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    1.7144    1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0665   -0.0754    0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1780    1.8796   -2.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8136    2.3131   -0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8749    0.4132   -2.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2046    0.8537   -0.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7441    4.0960   -1.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2843    2.3084    0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4834    4.3902    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7648    2.9189    2.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9632    4.2616    2.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2655    2.6836    1.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2408    5.4503    0.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2221    5.8117    1.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9220    4.5635    1.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2699    0.1215    0.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6254   -0.4622   -1.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0407   -0.1799   -1.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8346   -2.4587    0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3112   -1.5906    0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0500   -0.7077    1.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2552   -1.9302   -3.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5259   -3.1782   -1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8929   -2.1831   -2.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5462   -2.3847    0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2949   -2.8414   -1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250   -2.5210    2.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4907   -3.8007    3.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7228   -4.3602    2.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107   -3.6051    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8452   -0.5860   -2.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0049   -2.1074    1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6673   -1.8546   -0.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8979   -1.7873   -1.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2339   -2.1182    0.6978 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 15 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  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
  6 37  1  0
 37 38  1  0
 38  3  1  0
 36  9  1  0
 33 28  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  2 43  1  0
  4 44  1  0
  4 45  1  0
  5 46  1  0
  5 47  1  0
  9 48  1  0
 10 49  1  0
 10 50  1  0
 11 51  1  0
 11 52  1  0
 14 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 18 61  1  0
 21 62  1  0
 22 63  1  0
 23 64  1  0
 24 65  1  0
 24 66  1  0
 24 67  1  0
 25 68  1  0
 25 69  1  0
 25 70  1  0
 26 71  1  0
 26 72  1  0
 29 73  1  0
 30 74  1  0
 31 75  1  0
 32 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
 38 80  1  0
 38 81  1  0
M  END
$$$$
