B6VCO2
  -OEChem-04042107393D

 82 86  0     1  0  0  0  0  0999 V2000
   -6.6192   -0.2044   -0.2393 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4592   -3.8467    0.0194 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1236    1.2418   -0.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2901    0.9646    1.6958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6636   -0.5219   -1.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8094    0.2898    0.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9068    3.4865   -1.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9733   -4.8007   -0.8389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9815   -1.5554    0.6186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4174    5.1333    0.1846 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3166    3.8479    0.4854 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4223   -3.5112   -1.3005 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9009   -2.3167   -0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7335   -3.7587    0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0265   -2.4362    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4178   -4.7119   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957   -3.6646   -1.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880   -1.0594   -0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4738   -1.3302    1.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7481    0.0387    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358   -0.0980    0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1980   -3.3991    0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7982   -3.3865   -0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0925   -2.9330   -0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0850   -2.9596    1.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3243    5.3737   -0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3803   -2.4862    0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520    4.6536   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0355    4.8609    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -2.5059    1.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8719    5.1487   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7961    5.5995   -0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6746   -2.0328    1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074   -2.9133   -1.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6707   -2.0200    0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3878   -2.4594   -0.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0989    4.4866   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3403    1.0001   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1936    4.0904   -0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3247    2.8986    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3726    1.8633    1.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3003    1.0861   -0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3648    2.8125    1.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2925    2.0354   -0.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7588   -3.3486   -2.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179   -3.6012    0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4228   -4.2071    1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8122   -5.7054   -0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107   -4.3878   -1.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7669   -5.5213   -1.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080   -4.5407   -1.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -2.7823   -1.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -0.9248   -1.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3287   -1.4395    1.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6044   -3.7541   -1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2742    5.2245   -1.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202    6.4518   -0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6880   -2.9667    2.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4612    3.5777   -0.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5795    4.7859    1.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060    4.9671    1.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248    3.7885   -0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    1.1502   -0.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0525    0.6835    2.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5640   -2.1666    2.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9510    6.2329   -0.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8704    4.9716   -1.7152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986    5.4878   -1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8788    6.6688   -0.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9063   -1.6848    2.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9108   -3.2583   -2.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1510   -2.4915   -1.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2262   -1.6098    1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543    4.6802    1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724    3.4030   -0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0105    4.8752   -0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7104    5.5780    1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1699    1.8078    1.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2560    0.4303   -1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4058    4.4418    1.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4015    3.4777    2.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5224    2.0410   -1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
  1 38  1  0  0  0  0
  2 17  1  0  0  0  0
  2 22  1  0  0  0  0
  3 20  1  0  0  0  0
  3 63  1  0  0  0  0
  4 21  1  0  0  0  0
  4 64  1  0  0  0  0
  7 39  2  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 50  1  0  0  0  0
  9 35  1  0  0  0  0
  9 73  1  0  0  0  0
 10 32  1  0  0  0  0
 10 39  1  0  0  0  0
 10 77  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 80  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 45  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 19  2  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 20  1  0  0  0  0
 18 53  1  0  0  0  0
 19 21  1  0  0  0  0
 19 54  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 55  1  0  0  0  0
 24 27  2  0  0  0  0
 24 34  1  0  0  0  0
 25 30  2  0  0  0  0
 25 58  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 30  1  0  0  0  0
 27 33  1  0  0  0  0
 28 31  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 32  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
 30 65  1  0  0  0  0
 31 37  1  0  0  0  0
 31 66  1  0  0  0  0
 31 67  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 33 35  2  0  0  0  0
 33 70  1  0  0  0  0
 34 36  2  0  0  0  0
 34 71  1  0  0  0  0
 35 36  1  0  0  0  0
 36 72  1  0  0  0  0
 37 74  1  0  0  0  0
 37 75  1  0  0  0  0
 37 76  1  0  0  0  0
 38 41  2  0  0  0  0
 38 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  1  0  0  0  0
 41 43  1  0  0  0  0
 41 78  1  0  0  0  0
 42 44  2  0  0  0  0
 42 79  1  0  0  0  0
 43 81  1  0  0  0  0
 44 82  1  0  0  0  0
M  END

$$$$