
     RDKit          3D

 63 66  0  0  0  0  0  0  0  0999 V2000
   -5.3541   -1.4985   -1.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1813   -1.5243   -0.8494 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1831   -2.5954   -1.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2315   -2.3006   -2.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3545   -1.0525   -1.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142   -1.2896   -0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5650   -0.0865   -0.5965 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -0.2899    0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940    0.4718    1.3201 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6382   -1.4165    0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0336   -1.0072    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8504   -0.3517   -0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1338    0.0731   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6129   -0.1414    1.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8066   -0.7740    2.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5165   -1.2029    1.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4552   -2.0255    3.2184 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.2358    1.2894   -1.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5089    2.0637   -1.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1556    3.4647   -1.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3544    4.2452   -0.9240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9072    3.4772   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5611    2.0786    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883    1.4067    0.3438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9811    0.4312    1.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1596    0.3474    2.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3622   -0.6602    3.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3901   -1.5859    3.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2317   -1.4983    2.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371   -0.4933    1.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9564   -0.4056    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5532    0.6864   -0.1689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3901   -2.3973   -2.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3176   -0.5980   -2.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2807   -1.4737   -1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6105   -2.7741   -0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7063   -3.5541   -1.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8385   -2.1606   -3.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5809   -3.1850   -2.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992   -0.2077   -1.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002   -0.7902   -2.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6240   -1.7336   -0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4626   -2.0463   -1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2943   -2.3074    0.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577   -1.7070   -0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4906   -0.1662   -1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7563    0.5714   -0.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6078    0.1904    1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1843   -0.9260    3.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3799    1.2547   -1.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2049    2.1698   -0.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0376    1.5041   -2.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    4.0177   -2.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5652    3.3813   -2.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912    4.4310   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0599    5.2298   -1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5932    3.3890   -1.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4353    4.0525    0.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0571    2.2328    0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3771    1.0652    2.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7218   -0.7188    4.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414   -2.3673    3.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0380   -2.2119    2.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  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  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
  7 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 31  2  1  0
 16 11  1  0
 23 18  1  0
 30 25  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  3 36  1  0
  3 37  1  0
  4 38  1  0
  4 39  1  0
  5 40  1  0
  5 41  1  0
  6 42  1  0
  6 43  1  0
 10 44  1  0
 10 45  1  0
 12 46  1  0
 13 47  1  0
 14 48  1  0
 15 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 21 55  1  0
 21 56  1  0
 22 57  1  0
 22 58  1  0
 23 59  1  0
 26 60  1  0
 27 61  1  0
 28 62  1  0
 29 63  1  0
M  END
$$$$
