
     RDKit          3D

110114  0  0  0  0  0  0  0  0999 V2000
    5.8535    4.5842    1.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2268    3.2769    0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4329    3.0512    0.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2020    2.2946    0.3610 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4757    0.9983   -0.2763 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8346   -0.1632    0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8908   -0.9425    1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2608   -1.9812    2.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805   -1.6474    3.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1071   -3.3487    1.8199 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7469   -3.7438    0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2512   -4.0578    0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2334   -2.7578    1.1330 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523   -3.5939    0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2840   -3.1602    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0053   -2.1244   -0.8051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8888   -1.6285   -1.8147 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6254   -2.3563   -3.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7566   -0.1003   -1.9882 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5101    0.3100   -2.6092 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7791    0.2474   -1.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2845   -0.8804   -1.7097 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    1.4971   -1.5184 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7087    2.8224   -1.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699    3.9056   -0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    3.3920   -3.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138    1.5601   -2.2165 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0468    0.9997   -1.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8402    0.5040   -2.5800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0006    0.6187   -0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1371    0.6210    0.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    1.2703   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9261    0.8406    0.9742 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3725    1.6713    2.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6577    3.1548    2.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9015    3.6741    2.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1682    5.0417    2.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1903    5.9090    1.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9527    5.4041    1.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6855    4.0334    1.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4423    0.7547    0.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0270    0.4314    2.0614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2137    0.9151   -0.2063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2228   -0.0417   -0.6955 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1302   -0.1648   -2.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1218   -1.3874   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8864   -1.6228    0.9642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1401   -2.3691   -0.4067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7393   -3.4441    0.5026 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1552   -4.6571   -0.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5677   -4.3032   -1.0488 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6323   -3.7721    0.4460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3850   -2.8049    1.2568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7900   -2.9009    1.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2524   -2.4410    2.5998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2168   -4.9739    1.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1398   -5.2534    2.3194 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359   -6.1162    0.5622 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1222   -4.5585    1.9408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0531   -3.9127    3.1577 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9583   -5.6493    2.1171 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3679    5.2095    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7558    5.1043    1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1445    4.4284    2.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337    2.5310    0.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5799    0.8347   -0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228   -0.8649   -0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0553    0.2244    1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4457   -0.2225    1.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6270   -1.4185    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9789   -4.0699    2.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0268   -2.9646   -0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3209   -4.6537    0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9718   -4.1471   -0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644   -5.0227    0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9410   -1.7892   -1.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202   -3.4501   -2.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -2.1652   -3.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -2.0328   -3.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5653    0.1998   -2.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4696    0.7233   -3.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    1.3707   -0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6396    2.6284   -1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0381    3.5569    0.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5606    4.8316   -0.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2377    4.1647   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7415    3.8722   -3.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5904    2.6095   -3.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721    4.1646   -3.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7847    1.7261   -3.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2318    2.3689   -0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0099    0.9588   -1.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5922   -0.2030    1.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7855    1.2763    3.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2769    1.5194    2.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6669    3.0263    2.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1358    5.4283    2.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    6.9671    1.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2046    6.0751    1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233    3.6615    1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0850    1.8040   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2234    0.3800   -0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8144   -0.9588   -2.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4255    0.8037   -2.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0940   -0.4123   -2.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9068   -2.4485   -1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6493   -3.8187    1.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8896   -4.9900   -0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0045   -5.5016    0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8377   -2.2392    1.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 23 27  1  0
 27 28  1  0
 28 29  2  0
 19 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  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 33 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  2  0
 46 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  2  0
 52 56  1  1
 56 57  1  0
 56 58  1  0
 56 59  1  0
 59 60  1  0
 59 61  1  0
 28  5  1  0
 40 35  1  0
 54 49  1  0
 59 14  1  0
 52 15  1  0
  1 62  1  0
  1 63  1  0
  1 64  1  0
  4 65  1  0
  5 66  1  6
  6 67  1  0
  6 68  1  0
  7 69  1  0
  7 70  1  0
 10 71  1  0
 11 72  1  0
 11 73  1  0
 12 74  1  0
 12 75  1  0
 17 76  1  1
 18 77  1  0
 18 78  1  0
 18 79  1  0
 19 80  1  6
 20 81  1  0
 23 82  1  1
 24 83  1  0
 25 84  1  0
 25 85  1  0
 25 86  1  0
 26 87  1  0
 26 88  1  0
 26 89  1  0
 27 90  1  0
 32 91  1  0
 32 92  1  0
 33 93  1  1
 34 94  1  0
 34 95  1  0
 36 96  1  0
 37 97  1  0
 38 98  1  0
 39 99  1  0
 40100  1  0
 43101  1  0
 44102  1  6
 45103  1  0
 45104  1  0
 45105  1  0
 48106  1  0
 49107  1  1
 50108  1  0
 50109  1  0
 53110  1  0
M  END
$$$$
