BJ9RT4
  -OEChem-04012115313D

 68 71  0     1  0  0  0  0  0999 V2000
    0.1084    1.4597   -0.2801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949    0.8139    2.9107 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211    0.5719   -1.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5063    2.2147   -2.7087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4341   -1.0930    0.0208 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877    0.3530    1.5973 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404    2.6377   -0.6990 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5062   -0.7433    1.5840 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    2.2264    0.6659 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1116   -0.7073    1.5923 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4413   -1.7649    2.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658    0.1502    2.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8299    3.5262    1.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2775   -0.9543    3.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9543    1.3181    0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2699    4.4279    0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0817    4.0336   -0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3889   -0.1131    2.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1225    1.8377   -1.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8582   -0.3743    1.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4315    0.6998    1.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207   -0.3281   -1.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5063    0.2598   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1514   -1.6598   -1.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5046   -0.6155   -0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5625    0.7384   -1.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2621   -1.9293   -0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621   -2.6284   -1.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5592   -1.0124   -2.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6170    0.3414   -2.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6153   -0.5339   -3.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3835   -3.1675    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833   -3.8665   -0.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3940   -4.1360   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4183   -1.9830   -0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0257    1.7323    1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2427   -1.0870    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973   -2.4500    1.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3307   -2.3572    3.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    1.0766    3.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8046   -0.1794    2.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553    3.9660    1.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1290    3.4062    2.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -0.5241    4.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462   -1.5523    4.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2088    4.2047    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3582    5.4918    0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5314    4.1367   -1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0113    4.6087   -0.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3855   -1.5070    0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8658   -0.0092    2.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4576   -1.2901    1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4347    0.9830    1.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8253    1.6119    1.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0134    0.0776   -2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.4366   -2.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7780    1.4197   -1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0383   -1.1818   -0.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2905   -2.4291   -2.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3043   -1.6887   -2.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8817    0.7135   -3.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6566   -0.8424   -4.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2478   -3.3771    0.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123   -4.6202   -0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880   -5.0998    0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9678   -2.9090   -0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0488   -1.4929   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0736   -2.2623    0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 18  2  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 19  2  0  0  0  0
  5 25  1  0  0  0  0
  5 35  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 20  1  0  0  0  0
  8 50  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 37  1  0  0  0  0
 11 14  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 16  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 23  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 24  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 26 30  1  0  0  0  0
 26 57  1  0  0  0  0
 27 32  1  0  0  0  0
 27 58  1  0  0  0  0
 28 33  2  0  0  0  0
 28 59  1  0  0  0  0
 29 31  1  0  0  0  0
 29 60  1  0  0  0  0
 30 31  2  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 34  2  0  0  0  0
 32 63  1  0  0  0  0
 33 34  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
 35 67  1  0  0  0  0
 35 68  1  0  0  0  0
M  END

$$$$