
     RDKit          3D

 98100  0  0  0  0  0  0  0  0999 V2000
   -7.3851    5.0678    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9239    4.0294   -0.2546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6325    2.7440    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7751    2.4622    1.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1795    1.7505   -0.7187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8270    0.3774   -0.3287 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3488    0.1617   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7997    0.6113   -1.5953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5661   -0.5633    0.4012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1833   -0.7366    0.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525    0.0295    1.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0728    0.4372    0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6879    1.2940    1.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1258    1.6650    1.2543 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0904    2.2520   -0.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7401    2.6872    2.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2066    2.9325    2.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1747    2.2470    2.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5093    2.2391    2.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    2.9367    1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9570    3.7414    0.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6153    3.7222    0.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2868    2.7498    0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2924    2.4700   -0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435    1.4530   -1.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7695    0.4460   -0.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2337   -0.5322   -1.6770 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9243   -1.1076   -1.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156   -1.4411   -2.6134 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2462   -1.3051   -0.2190 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6210   -2.7299   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8475   -2.9365    1.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050   -3.8171   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2197   -0.2667   -0.0565 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9706    0.3985    1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4091   -0.1030    2.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -2.1780    0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5171   -2.9165   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2610   -4.0846   -0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8875   -4.7474   -1.7150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7599   -4.2628   -3.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6274   -5.1658   -4.4636 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9941   -3.1187   -3.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657   -2.4539   -2.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7251   -0.6774   -1.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4841   -2.0792   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4351   -0.7384   -2.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2139   -0.3225   -0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3509    4.7755    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6335    5.2708    1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5370    5.9911    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0625    2.0430   -1.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0082    0.2558    0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0129   -0.9195    1.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086    0.9647    1.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3508   -0.5558    2.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2022    1.0108   -0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5110   -0.4748    0.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398    0.7427    2.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082    2.2263    1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918    3.0435    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6011    2.3219    3.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965    3.6551    2.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8877    1.6508    3.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2244    1.6356    2.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2422    4.3112   -0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8865    4.2755    0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8064    1.9121    1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8692    3.6728    0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8765    3.1406   -1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7435    1.3753   -2.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3562   -0.0826    0.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9247    0.9828   -0.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7845   -0.7675   -2.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0105   -1.2051    0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973   -2.8713   -0.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9730   -2.2565    1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5058   -2.7579    2.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4563   -3.9749    1.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475   -4.8290   -0.1660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2222   -3.7578   -1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4588   -3.7047    0.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919   -0.0651   -0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025   -2.6021    1.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7744   -2.3396    0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3790   -4.4665    0.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4770   -5.6350   -1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8864   -2.7440   -4.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7773   -1.5685   -2.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1328   -2.8359   -0.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7040   -2.0858    0.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4331   -2.3912   -0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1216   -1.4579   -3.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5805    0.2517   -3.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3985   -1.0818   -2.7817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4629    0.6448   -1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8707   -1.1038   -1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4492   -0.2410    0.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  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  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 30 34  1  0
 34 35  1  0
 35 36  2  0
 10 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 41 43  1  0
 43 44  2  0
  6 45  1  0
 45 46  1  0
 45 47  1  0
 45 48  1  0
 35 14  1  0
 44 38  1  0
 22 17  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  5 52  1  0
  6 53  1  1
  9 54  1  0
 11 55  1  0
 11 56  1  0
 12 57  1  0
 12 58  1  0
 13 59  1  0
 13 60  1  0
 15 61  1  0
 16 62  1  0
 16 63  1  0
 18 64  1  0
 19 65  1  0
 21 66  1  0
 22 67  1  0
 23 68  1  0
 23 69  1  0
 24 70  1  0
 25 71  1  0
 26 72  1  0
 26 73  1  0
 27 74  1  0
 30 75  1  1
 31 76  1  0
 32 77  1  0
 32 78  1  0
 32 79  1  0
 33 80  1  0
 33 81  1  0
 33 82  1  0
 34 83  1  0
 37 84  1  0
 37 85  1  0
 39 86  1  0
 40 87  1  0
 43 88  1  0
 44 89  1  0
 46 90  1  0
 46 91  1  0
 46 92  1  0
 47 93  1  0
 47 94  1  0
 47 95  1  0
 48 96  1  0
 48 97  1  0
 48 98  1  0
M  END
$$$$
