BL30OR
  -OEChem-04012114443D

 71 75  0     1  0  0  0  0  0999 V2000
   -6.2887   -4.5079    0.2665 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3259    2.1249    0.6939 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7812    1.4308    3.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5118   -1.1838    0.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427   -1.5680   -2.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5601   -2.6003    1.1871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1728    2.6485    0.4650 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1288   -1.4496   -0.1642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5421    0.8512   -1.0900 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4246   -4.3045   -1.9022 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0643    0.8835    0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6144   -0.1116   -0.3395 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5759    1.1987    0.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7964    0.3318    2.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0620    2.0612    1.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826    1.2431    3.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0893   -0.2086   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849    2.6347   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1162    2.0825   -1.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9279    0.6829   -1.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.0760   -1.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6929    3.8592   -0.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400   -3.4813   -0.6960 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2265    2.7986   -2.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616    0.5029   -0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6733   -3.4847    0.0724 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3646    4.5352   -2.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025    4.0071   -2.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6453   -0.6549   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309    1.5224    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5112   -0.7803    0.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261   -4.8565    0.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7823    1.3990    1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5884   -1.6911   -1.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5679    0.2556    1.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2948   -1.9382    1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3740   -2.8345   -1.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2255   -2.9578    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3102    3.6363    1.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9644    0.2429   -1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8006    1.7114   -0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1432    0.2601    0.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2599   -0.6539    2.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7199    0.2268    2.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6109    3.0597    1.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1468    2.1926    1.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8811    2.2175    3.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2497    0.7820    4.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8471   -1.9708    0.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055   -0.1262   -2.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    1.5491   -2.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    4.2983   -0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5536   -3.8960   -0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    2.4137   -3.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4579   -3.0665   -0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8436    5.4805   -2.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1408    4.5334   -3.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5168   -4.3226   -2.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -5.2710   -1.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3636   -5.3063    1.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3361   -5.5404   -0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347   -4.7656    1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    2.1472    2.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9550   -1.6793   -2.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2267    0.1794    2.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4266   -2.5679    1.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9629   -2.0403    1.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3091   -3.6208   -1.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6362    4.4597    1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9855    3.2581    2.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229    4.0527    1.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 38  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  2  0  0  0  0
  5 21  2  0  0  0  0
  6 26  1  0  0  0  0
  6 66  1  0  0  0  0
  7 30  1  0  0  0  0
  7 39  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 49  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 23  1  0  0  0  0
 10 58  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 52  1  0  0  0  0
 23 26  1  0  0  0  0
 23 53  1  0  0  0  0
 24 28  1  0  0  0  0
 24 54  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  2  0  0  0  0
 26 32  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  2  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 31  2  0  0  0  0
 29 34  1  0  0  0  0
 30 33  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 35  2  0  0  0  0
 33 63  1  0  0  0  0
 34 37  2  0  0  0  0
 34 64  1  0  0  0  0
 35 65  1  0  0  0  0
 36 38  2  0  0  0  0
 36 67  1  0  0  0  0
 37 38  1  0  0  0  0
 37 68  1  0  0  0  0
 39 69  1  0  0  0  0
 39 70  1  0  0  0  0
 39 71  1  0  0  0  0
M  END

$$$$