
     RDKit          3D

137142  0  0  0  0  0  0  0  0999 V2000
    2.7012   -4.8266   -0.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5877   -4.1551    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547   -5.0759    0.2894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -3.8433    1.7908 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0414   -2.7113    1.9090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333   -1.7517    2.6982 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770   -2.8203    1.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7678   -1.8636    0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4675   -0.6615    1.0062 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7531   -0.4021    0.3482 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9115    0.0674    1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8863    0.1291    2.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1179    0.5321    0.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4405    0.0292   -0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5575    0.5166   -1.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3400    1.4901   -1.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4331    2.0938   -1.5444 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8489    2.9563   -0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0105    2.9010    0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0531    1.9598    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9525    1.5115    0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929    0.5666    0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340    0.5034    1.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0468    1.8003    0.3457 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904    2.6553   -0.4876 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9297    1.9476   -1.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404    3.0907    0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0439    3.3407    1.4897 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7059    3.4074   -0.4184 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    4.7928   -0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895    2.3360   -0.8686 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2336    1.9499    0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887    1.2191    1.6857 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6331   -0.0837    2.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633   -1.4873    1.5846 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0430   -2.5263    2.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7765   -2.3728    3.7307 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8784   -3.6596    2.7080 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6491   -4.6832    3.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0119   -1.9374    0.4532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5879   -1.6053   -0.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3135   -2.5639    0.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7574   -3.2575   -0.3747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2084   -2.3959    1.7929 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5024   -3.7632    2.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4691   -1.7697    1.3797 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6576   -0.3470    1.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3529    0.2601    2.5217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1349    0.4381    0.2636 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.4011   -0.1180   -0.2236 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6406    0.5892   -0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6574    1.8466   -0.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9012   -0.1355    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1547    0.4851   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3589   -0.1722    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2858   -1.4332    0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3072   -2.2100    1.2036 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7420   -3.3257    1.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3557   -3.2566    1.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0880   -2.0369    1.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8765   -1.4238    0.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0615    0.4047   -0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9217    1.6543   -1.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2269    2.7327   -0.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358    3.0638    0.2467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2161    3.5068   -1.7644 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8575    4.5939   -2.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8356    4.0738   -3.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7763    5.4721   -3.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2683    2.6095   -2.4586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660    1.7088   -3.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1512    2.7043   -2.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170    3.0014   -3.1721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5848   -4.1700   -0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3397   -5.0468   -1.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0186   -5.7839   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3485   -3.2059   -0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0435   -5.2553   -0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5072   -4.6280    0.8151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854   -6.0527    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6068   -4.7330    2.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5016   -2.4015   -0.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9461   -1.5380   -0.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6421   -0.9065    2.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7474   -0.3374   -0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8440   -0.7493   -1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000    0.1433   -2.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8753    1.9295   -2.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7208    3.5943   -0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0956    3.4730    1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7399    1.9207    1.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    2.0745    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7516    3.5879   -0.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    1.7706   -2.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3075    2.5833   -2.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4492    0.9570   -1.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8509    5.1379   -1.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419    5.4761   -0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4095    4.8655    0.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3707    1.4097   -1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429    1.2192   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7869    2.8368    0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    0.1778    1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7562   -0.0510    3.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8685   -1.3556    1.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572   -5.5331    3.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3794   -5.0920    3.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7739   -4.2320    4.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3653   -1.0333   -0.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3533   -0.9812   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545   -2.5340   -1.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7383   -1.7548    2.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5555   -4.2651    2.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1236   -3.6240    3.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0530   -4.4195    1.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2116   -2.3499    0.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2951    1.4837    0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4189   -1.0909   -0.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2032    1.4718   -0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3187    0.2994    0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3299   -1.9977    1.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3133   -4.1487    2.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6418   -3.9930    2.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9448   -1.9195    1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2998   -0.3835   -1.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0703    0.1296   -0.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6344    4.1018   -1.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4472    5.2622   -2.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4085    4.9264   -4.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5733    3.3636   -3.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3008    3.5959   -4.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071    5.9038   -2.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1774    4.8866   -4.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517    6.3165   -3.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608    1.5664   -3.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010    0.7127   -3.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178    2.1232   -4.5179 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
  4  5  1  0
  5  6  2  0
  5  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  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
  9 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 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
 35 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  1  0
 58 59  2  0
 59 60  1  0
 60 61  2  0
 49 62  1  0
 62 63  1  0
 63 64  1  0
 64 65  2  0
 64 66  1  0
 66 67  1  0
 67 68  1  0
 67 69  1  0
 66 70  1  0
 70 71  1  0
 70 72  1  0
 72 73  2  0
 38  4  1  0
 61 53  1  0
 21 13  1  0
 72 31  1  0
 20 16  1  0
 60 56  1  0
  1 74  1  0
  1 75  1  0
  1 76  1  0
  2 77  1  0
  3 78  1  0
  3 79  1  0
  3 80  1  0
  4 81  1  1
  8 82  1  0
  8 83  1  0
  9 84  1  1
 10 85  1  0
 14 86  1  0
 15 87  1  0
 17 88  1  0
 18 89  1  0
 19 90  1  0
 21 91  1  0
 24 92  1  0
 25 93  1  6
 26 94  1  0
 26 95  1  0
 26 96  1  0
 30 97  1  0
 30 98  1  0
 30 99  1  0
 31100  1  6
 32101  1  0
 32102  1  0
 34103  1  0
 34104  1  0
 35105  1  6
 39106  1  0
 39107  1  0
 39108  1  0
 41109  1  0
 41110  1  0
 41111  1  0
 44112  1  1
 45113  1  0
 45114  1  0
 45115  1  0
 46116  1  0
 49117  1  1
 50118  1  0
 54119  1  0
 55120  1  0
 57121  1  0
 58122  1  0
 59123  1  0
 61124  1  0
 62125  1  0
 62126  1  0
 66127  1  1
 67128  1  0
 68129  1  0
 68130  1  0
 68131  1  0
 69132  1  0
 69133  1  0
 69134  1  0
 71135  1  0
 71136  1  0
 71137  1  0
M  END
$$$$
