7BN
  CCTOOLS-0919241027

 82 84  0  0  1  0  0  0  0  0999 V2000
   10.7450    0.2210   -0.2430 C   0  0  0  0  0
    9.6000    1.1830   -0.5690 C   0  0  0  0  0
    9.8480    1.8290   -1.9340 C   0  0  0  0  0
   10.4590   -0.4660    1.0960 C   0  0  0  0  0
    8.7950   -1.7620    2.2800 O   0  0  0  0  0
    9.1060   -1.1790    1.0130 C   0  0  0  0  0
   11.4860   -1.4200    1.3730 O   0  0  0  0  0
   10.8490   -0.7650   -1.2730 O   0  0  0  0  0
    8.8430    2.8120   -2.1860 O   0  0  0  0  0
    8.3670    0.4610   -0.6000 O   0  0  0  0  0
    8.0240   -0.1620    0.6390 C   0  0  0  0  0
    6.6790   -0.8770    0.4950 C   0  0  0  0  0
    5.5770    0.1540    0.2430 C   0  0  0  0  0
    4.2900   -0.5310    0.1050 N   0  0  0  0  0
    3.1690    0.1810   -0.1230 C   0  0  0  0  0
    3.2260    1.3890   -0.2150 O   0  0  0  0  0
    1.8440   -0.5230   -0.2650 C   0  0  0  0  0
    0.7420    0.5080   -0.5170 C   0  0  0  0  0
   -0.5820   -0.1970   -0.6590 C   0  0  0  0  0
   -1.7080    0.0450    0.0530 C   0  0  0  0  0
   -0.8780   -1.1800   -1.5160 N   0  0  0  0  0
   -2.1050   -1.5280   -1.3430 N   0  0  0  0  0
   -2.6410   -0.8190   -0.4120 N   0  0  0  0  0
   -4.0230   -0.9260    0.0610 C   0  0  0  0  0
   -4.0270   -1.2700    1.5280 C   0  0  0  0  0
   -4.1220   -2.4220    1.8780 O   0  0  0  0  0
   -3.9240   -0.2960    2.4460 O   0  0  0  0  0
   -4.6930    0.3210   -0.1380 O   0  0  0  0  0
   -4.7470   -2.0240   -0.7230 C   0  0  0  0  0
   -6.2070   -2.0890   -0.2650 C   0  0  0  0  0
   -6.9090   -3.0610   -1.0420 O   0  0  0  0  0
   -6.8530   -0.7140   -0.4580 C   0  0  0  0  0
   -8.2290   -0.7440    0.0450 N   0  0  0  0  0
   -9.2270   -1.1810   -0.7470 C   0  0  0  0  0
   -8.9870   -1.5490   -1.8780 O   0  0  0  0  0
  -10.6420   -1.2120   -0.2290 C   0  0  0  0  0
   -6.0480    0.3330    0.3150 C   0  0  0  0  0
   -6.6520    1.7190    0.0780 C   0  0  0  0  0
   -6.7210    1.9750   -1.3260 O   0  0  0  0  0
   -5.7750    2.7790    0.7470 C   0  0  0  0  0
   -5.7060    2.5230    2.1520 O   0  0  0  0  0
   -6.3790    4.1650    0.5100 C   0  0  0  0  0
   -5.5010    5.1630    1.0340 O   0  0  0  0  0
   11.6800    0.7760   -0.1750 H   0  0  0  0  0
    9.5480    1.9580    0.1960 H   0  0  0  0  0
   10.8300    2.3030   -1.9380 H   0  0  0  0  0
    9.8110    1.0640   -2.7100 H   0  0  0  0  0
   10.4310    0.2800    1.8900 H   0  0  0  0  0
    9.4420   -2.4140    2.5820 H   0  0  0  0  0
    9.1510   -1.9600    0.2540 H   0  0  0  0  0
   12.3720   -1.0380    1.4320 H   0  0  0  0  0
   11.0300   -0.4000   -2.1500 H   0  0  0  0  0
    8.9380    3.2630   -3.0360 H   0  0  0  0  0
    7.9510    0.5950    1.4190 H   0  0  0  0  0
    6.7250   -1.5730   -0.3430 H   0  0  0  0  0
    6.4600   -1.4270    1.4110 H   0  0  0  0  0
    5.5310    0.8490    1.0810 H   0  0  0  0  0
    5.7970    0.7030   -0.6730 H   0  0  0  0  0
    4.2440   -1.4970    0.1790 H   0  0  0  0  0
    1.8900   -1.2190   -1.1030 H   0  0  0  0  0
    1.6250   -1.0720    0.6510 H   0  0  0  0  0
    0.6960    1.2030    0.3210 H   0  0  0  0  0
    0.9610    1.0570   -1.4330 H   0  0  0  0  0
   -1.8370    0.7800    0.8340 H   0  0  0  0  0
   -3.9310   -0.5660    3.3750 H   0  0  0  0  0
   -4.7090   -1.7960   -1.7880 H   0  0  0  0  0
   -4.2640   -2.9830   -0.5370 H   0  0  0  0  0
   -6.2470   -2.3670    0.7890 H   0  0  0  0  0
   -6.5490   -3.9550   -0.9720 H   0  0  0  0  0
   -6.8590   -0.4600   -1.5180 H   0  0  0  0  0
   -8.4210   -0.4490    0.9500 H   0  0  0  0  0
  -10.9490   -0.2040    0.0500 H   0  0  0  0  0
  -11.3060   -1.5920   -1.0060 H   0  0  0  0  0
  -10.6950   -1.8620    0.6440 H   0  0  0  0  0
   -6.0770    0.1010    1.3800 H   0  0  0  0  0
   -7.6550    1.7560    0.5040 H   0  0  0  0  0
   -5.8630    1.9580   -1.7710 H   0  0  0  0  0
   -4.7720    2.7420    0.3220 H   0  0  0  0  0
   -6.5640    2.5400    2.5970 H   0  0  0  0  0
   -6.5140    4.3240   -0.5590 H   0  0  0  0  0
   -7.3450    4.2310    1.0120 H   0  0  0  0  0
   -5.8210    6.0680    0.9190 H   0  0  0  0  0
  1  4  1  0  0  0
  1 44  1  0  0  0
  2  1  1  0  0  0
  2 45  1  0  0  0
  3  2  1  0  0  0
  3 46  1  0  0  0
  3 47  1  0  0  0
  4  7  1  0  0  0
  4 48  1  0  0  0
  5 49  1  0  0  0
  6  5  1  0  0  0
  6  4  1  0  0  0
  6 50  1  0  0  0
  7 51  1  0  0  0
  8  1  1  0  0  0
  8 52  1  0  0  0
  9  3  1  0  0  0
  9 53  1  0  0  0
 10 11  1  0  0  0
 10  2  1  0  0  0
 11  6  1  0  0  0
 11 54  1  0  0  0
 12 11  1  0  0  0
 12 55  1  0  0  0
 12 56  1  0  0  0
 13 12  1  0  0  0
 13 57  1  0  0  0
 13 58  1  0  0  0
 14 15  1  0  0  0
 14 13  1  0  0  0
 14 59  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 15  1  0  0  0
 17 60  1  0  0  0
 17 61  1  0  0  0
 18 19  1  0  0  0
 18 62  1  0  0  0
 18 63  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 23  1  0  0  0
 20 64  1  0  0  0
 21 22  2  0  0  0
 23 22  1  0  0  0
 23 24  1  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 25 27  1  0  0  0
 26 25  2  0  0  0
 27 65  1  0  0  0
 28 37  1  0  0  0
 28 24  1  0  0  0
 29 30  1  0  0  0
 29 66  1  0  0  0
 29 67  1  0  0  0
 30 31  1  0  0  0
 30 68  1  0  0  0
 31 69  1  0  0  0
 32 33  1  0  0  0
 32 30  1  0  0  0
 32 70  1  0  0  0
 33 71  1  0  0  0
 34 33  1  0  0  0
 34 36  1  0  0  0
 35 34  2  0  0  0
 36 72  1  0  0  0
 36 73  1  0  0  0
 36 74  1  0  0  0
 37 32  1  0  0  0
 37 75  1  0  0  0
 38 37  1  0  0  0
 38 76  1  0  0  0
 39 38  1  0  0  0
 39 77  1  0  0  0
 40 38  1  0  0  0
 40 41  1  0  0  0
 40 78  1  0  0  0
 41 79  1  0  0  0
 42 40  1  0  0  0
 42 80  1  0  0  0
 42 81  1  0  0  0
 43 42  1  0  0  0
 43 82  1  0  0  0
M  END
$$$$
