AV2
  CCTOOLS-0807261402

 44 47  0  0  1  0  0  0  0  0999 V2000
   -6.3990   -0.5670    0.8190 P   0  0  0  0  0
   -7.0050    0.8160    0.6810 O   0  0  0  0  0
   -6.6510   -1.1820    2.1810 O   0  5  0  0  0
   -6.7860   -1.4910   -0.3190 O   0  5  0  0  0
   -3.8110   -0.2330   -0.5480 P   0  0  0  0  0
   -3.6890   -1.5650   -1.1930 O   0  0  0  0  0
   -4.2620    0.9180   -1.3720 O   0  5  0  0  0
   -4.7950   -0.3680    0.7070 O   0  0  0  0  0
   -2.4450    0.1330    0.1980 O   0  0  0  0  0
   -1.2870    0.3730   -0.6400 C   0  0  0  0  0
   -0.1450    0.8760    0.2060 C   0  0  0  0  0
    0.4620   -0.2450    0.8900 O   0  0  0  0  0
    1.0170    1.5680   -0.5360 C   0  0  0  0  0
    0.8440    2.9630   -0.5630 O   0  5  0  0  0
    2.2390    1.1590    0.2510 C   0  0  0  0  0
    2.5940    2.1390    1.2200 O   0  5  0  0  0
    1.8700   -0.1720    0.8970 C   0  0  0  0  0
    2.4140   -1.3440    0.2080 N   0  0  0  0  0
    1.8280   -2.1280   -0.7550 C   0  0  0  0  0
    2.5900   -3.1100   -1.1730 N   0  0  0  0  0
    3.7580   -2.9620   -0.4400 C   0  0  0  0  0
    4.9590   -3.6970   -0.4260 C   0  0  0  0  0
    5.1840   -4.7620   -1.1960 N   0  0  0  0  0
    5.9310   -3.2850    0.4240 N   0  0  0  0  0
    5.6980   -2.2150    1.1940 C   0  0  0  0  0
    4.6130   -1.4520    1.2650 N   0  0  0  0  0
    3.6650   -1.8790    0.4140 C   0  0  0  0  0
    1.7990    3.4520    0.6670 V   0  0  0  0  0
    0.8870    4.0900    1.8580 O   0  6  0  0  0
    2.8670    4.5610    0.1320 O   0  5  0  0  0
    4.3330    3.7650   -2.1160 H   0  0  0  0  0
    6.8920    1.6470   -0.7370 H   0  0  0  0  0
    5.6460   -0.8420    0.7600 H   0  0  0  0  0
   -1.5120    1.0440   -1.3370 H   0  0  0  0  0
   -1.0180   -0.4680   -1.0900 H   0  0  0  0  0
   -0.5110    1.5040    0.8760 H   0  0  0  0  0
    1.0960    1.3120   -1.4780 H   0  0  0  0  0
    3.0140    1.0550   -0.3400 H   0  0  0  0  0
    2.1830   -0.1760    1.8310 H   0  0  0  0  0
    0.9580   -1.9750   -1.0820 H   0  0  0  0  0
    5.9540   -5.1890   -1.1500 H   0  0  0  0  0
    4.5620   -5.0410   -1.7530 H   0  0  0  0  0
    6.4070   -1.9680    1.7690 H   0  0  0  0  0
    2.4450    5.1900   -0.2870 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  8  1  0  0  0
  3 31  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  5  8  1  0  0  0
  5  9  1  0  0  0
  7 33  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 36  1  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 37  1  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 38  1  0  0  0
 16 28  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 27  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 27  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 43  1  0  0  0
 26 27  2  0  0  0
 28 29  2  0  0  0
 28 30  1  0  0  0
 30 44  1  0  0  0
M  CHG  1   3  -1
M  CHG  1   4  -1
M  CHG  1   7  -1
M  CHG  1  14  -1
M  CHG  1  16  -1
M  CHG  1  29  -2
M  CHG  1  30  -1
M  END
$$$$
