
     RDKit          3D

 97102  0  0  0  0  0  0  0  0999 V2000
   -3.0988   -7.5884    0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6332   -6.4476    1.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9825   -7.0138    2.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9033   -5.8314    0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156   -5.4527    1.5614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313   -4.6559    0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4632   -4.6824   -0.6197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373   -3.7964    0.9238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3081   -2.8073    0.0380 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2702   -3.4725   -1.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1763   -2.5072   -2.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9096   -3.1895   -3.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8510   -2.2107   -3.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1548   -1.9546   -3.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252   -0.5875   -3.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612    0.5429   -2.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778    0.5554   -1.8979 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9014    1.8547   -1.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3588    0.5865   -0.3891 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8018    0.4622    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3419   -0.6806    0.0218 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5533    1.6117    0.4457 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2269    1.5123    0.8900 S   0  0  0  0  0  6  0  0  0  0  0  0
    7.8959    0.3947    0.1349 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9062    2.8062    0.5278 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3373    1.1840    2.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6718    1.5426    3.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4527    2.4166    3.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3901   -0.2119    0.3773 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1549    0.2710    0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0326    0.3695    2.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426    0.5183    0.0322 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6169    1.9187    0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8297    1.7194    1.1732 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8722    2.6426    0.8595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7877    4.0137    1.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964    4.4895    1.7414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8348    4.8801    0.6695 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8798    6.3158    0.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1303    6.7428    0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6882    8.0214    0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9001    8.2027   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5295    7.1117   -1.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9534    5.8316   -1.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7510    5.6736   -0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9753    4.4248   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2839    0.2856    0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1337   -0.3992    0.3535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754   -1.6890   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617   -1.9054   -1.0224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8449   -7.2179   -0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1802   -8.0308    0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8632   -8.3893    0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7341   -7.8309    2.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0675   -7.4161    3.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4004   -6.2111    3.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1966   -4.9152    1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7434   -6.5559    0.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7480   -5.5593   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715   -3.8693    1.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5453   -2.3728    0.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672   -4.3607   -0.9299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423   -3.8179   -1.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9203   -2.0954   -1.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5595   -1.6739   -2.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1532   -3.5613   -3.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4903   -4.0640   -2.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071   -1.2643   -4.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1158   -2.6408   -4.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0225   -2.0707   -2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002   -2.7188   -3.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5910   -0.5229   -4.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7597    1.4774   -3.0776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1116    0.1629   -2.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476    2.1578   -0.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    2.6228   -1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0770    2.5365    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8096    0.3155    3.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9531    0.9079    4.1411 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4264    2.0062    2.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0200    2.3001    4.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810    3.3959    3.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7551   -1.0973    0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2326    0.4051   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9487    2.3380   -0.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145    2.6237    0.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5261    1.8268    2.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9991    6.8294    0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9459    6.4928    2.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1973    8.8536    0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3524    9.1863   -0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4597    7.2582   -1.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4337    4.9889   -1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6292    4.0117   -1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5727    3.6776    0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1329    0.2690    0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5866   -0.2055    1.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  6
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  2  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 19 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 34 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  2  0
 49  9  1  0
 19 17  1  0
 28 26  1  0
 48 32  1  0
 46 38  1  0
 45 40  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  3 54  1  0
  3 55  1  0
  3 56  1  0
  4 57  1  0
  4 58  1  0
  4 59  1  0
  8 60  1  0
  9 61  1  1
 10 62  1  0
 10 63  1  0
 11 64  1  0
 11 65  1  0
 12 66  1  0
 12 67  1  0
 13 68  1  0
 13 69  1  0
 14 70  1  0
 14 71  1  0
 15 72  1  0
 16 73  1  0
 17 74  1  1
 18 75  1  0
 18 76  1  0
 22 77  1  0
 26 78  1  0
 27 79  1  0
 27 80  1  0
 28 81  1  0
 28 82  1  0
 29 83  1  0
 32 84  1  6
 33 85  1  0
 33 86  1  0
 34 87  1  1
 39 88  1  0
 39 89  1  0
 41 90  1  0
 42 91  1  0
 43 92  1  0
 44 93  1  0
 46 94  1  0
 46 95  1  0
 47 96  1  0
 47 97  1  0
M  END
$$$$
