
     RDKit          2D

117121  0  0  0  0  0  0  0  0999 V2000
  -46.7307   -4.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -46.7702   -2.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.0886   -2.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -48.1281   -0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -49.4464    0.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -46.8492    0.0769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -45.5309   -0.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -44.2521    0.1453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -42.9337   -0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -42.8942   -2.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -41.6549    0.2137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -40.3365   -0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -39.0577    0.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -37.7394   -0.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -36.4605    0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -35.1422   -0.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -33.8634    0.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -32.5450   -0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -31.2662    0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -31.3057    1.9868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -29.9478   -0.2282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -28.6690    0.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -27.3507   -0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.0718    0.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.7535   -0.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4747    0.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.1563   -0.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.8775    0.7610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5591    0.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5196   -1.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2803    0.8295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9620    0.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6831    0.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3648    0.1824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0860    0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7676    0.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4888    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1704    0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8916    1.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5733    0.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2944    1.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9761    0.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973    1.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789    0.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1001    1.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2183    0.5929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4971    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8154    0.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0943    1.4452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4126    0.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6914    1.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6519    3.0131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0098    0.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2886    1.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6070    0.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8858    1.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2041    0.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4830    1.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9820    3.1328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0995    4.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6612    5.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8150    5.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6743    6.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9474    8.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3613    8.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6344   10.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4936   11.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0797   10.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8066    9.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0049    6.8599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4634    7.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4239    8.7097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9383    6.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5121    8.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9993    8.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9126    7.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5731    9.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0602   10.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8642   11.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2562    8.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5473   10.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1747    6.0877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9586    4.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3725    5.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1546    3.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7288    1.8835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7548    0.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6682   -0.4472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4011    0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7515   -1.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6636   -2.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0140   -3.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9261   -4.8857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2765   -6.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1886   -7.3769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7148   -6.7700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0652   -8.2285    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   18.6067   -8.5789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5237   -7.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4155   -9.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8538  -10.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9417   -9.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2042  -11.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5226  -12.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2495  -13.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7449  -13.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2890  -15.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7623  -13.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1163  -12.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6780  -12.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5901  -13.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3277  -10.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8894  -10.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9016    0.0572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5157    0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6663   -0.6053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -45.4914   -2.1382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  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  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 58 57  1  6
 58 59  1  0
 59 60  1  0
 60 61  2  0
 60 62  1  0
 62 63  1  1
 63 64  1  0
 64 65  2  0
 65 66  1  0
 66 67  2  0
 67 68  1  0
 68 69  2  0
 62 70  1  0
 70 71  1  0
 71 72  2  0
 71 73  1  0
 73 74  1  6
 74 75  1  0
 75 76  2  0
 75 77  1  0
 77 78  1  0
 78 79  1  0
 78 80  1  0
 78 81  1  0
 73 82  1  0
 82 83  1  0
 83 84  2  0
 83 85  1  0
 85 86  1  0
 86 87  1  0
 87 88  2  0
 87 89  1  0
 89 90  1  6
 90 91  1  0
 91 92  1  0
 92 93  1  0
 93 94  2  3
 94 95  1  0
 94 96  1  0
 96 97  1  0
 97 98  2  0
 97 99  2  0
 97100  1  0
100101  2  0
101102  1  0
101103  1  0
103104  1  0
104105  1  0
105106  1  0
105107  1  0
105108  1  0
108109  1  0
109110  1  0
110111  1  0
110112  2  0
112113  1  0
 89114  1  0
114115  1  0
115116  2  0
  7117  1  0
117  2  1  0
115 58  1  0
 69 64  1  0
112100  1  0
109103  2  0
M  END
$$$$
