BAH
  CCTOOLS-0919241032

 45 48  0  0  0  0  0  0  0  0999 V2000
    5.2520    0.8540   -0.0220 C   0  0  0  0  0
    4.4040    1.9690   -0.0490 C   0  0  0  0  0
    3.0510    1.8100   -0.0450 C   0  0  0  0  0
    2.4960    0.5250   -0.0140 C   0  0  0  0  0
    3.3420   -0.5990    0.0130 C   0  0  0  0  0
    4.7160   -0.4320    0.0040 C   0  0  0  0  0
    6.7170    1.0420   -0.0270 C   0  0  0  0  0
    1.2310   -1.2410    0.0290 C   0  0  0  0  0
    0.0010   -2.1110    0.0510 C   0  0  0  0  0
    7.5250   -0.0170   -0.0010 N   0  0  0  0  0
    7.2310    2.2710   -0.0570 N   0  3  0  0  0
    1.2230    0.0610   -0.0030 N   0  0  0  0  0
    2.5090   -1.7010    0.0400 N   0  0  0  0  0
   -5.2520    0.8520   -0.0190 C   0  0  0  0  0
   -4.4050    1.9670   -0.0470 C   0  0  0  0  0
   -3.0520    1.8080   -0.0440 C   0  0  0  0  0
   -2.4970    0.5240   -0.0130 C   0  0  0  0  0
   -3.3420   -0.6010    0.0160 C   0  0  0  0  0
   -4.7160   -0.4340    0.0120 C   0  0  0  0  0
   -6.7180    1.0390   -0.0230 C   0  0  0  0  0
   -1.2300   -1.2420    0.0300 C   0  0  0  0  0
   -7.2520    2.1290    0.5280 N   0  0  0  0  0
   -7.5060    0.1190   -0.5770 N   0  3  0  0  0
   -1.2230    0.0600    0.0040 N   0  0  0  0  0
   -2.5080   -1.7020    0.0420 N   0  0  0  0  0
    0.0000   -2.9650   -1.0950 O   0  0  0  0  0
    0.0010   -2.9070    1.2380 O   0  0  0  0  0
    4.8270    2.9630   -0.0730 H   0  0  0  0  0
    2.4060    2.6760   -0.0660 H   0  0  0  0  0
    5.3680   -1.2920    0.0190 H   0  0  0  0  0
    7.1510   -0.9120    0.0210 H   0  0  0  0  0
    8.4870    0.1060   -0.0040 H   0  0  0  0  0
    8.1940    2.3940   -0.0600 H   0  0  0  0  0
    6.6440    3.0420   -0.0800 H   0  0  0  0  0
    2.7860   -2.6310    0.0630 H   0  0  0  0  0
   -4.8280    2.9600   -0.0710 H   0  0  0  0  0
   -2.4070    2.6740   -0.0660 H   0  0  0  0  0
   -5.3680   -1.2940    0.0340 H   0  0  0  0  0
   -6.6780    2.7990    0.9320 H   0  0  0  0  0
   -8.2140    2.2520    0.5250 H   0  0  0  0  0
   -8.4680    0.2410   -0.5800 H   0  0  0  0  0
   -7.1170   -0.6750   -0.9780 H   0  0  0  0  0
   -2.7840   -2.6320    0.0660 H   0  0  0  0  0
    0.0000   -2.3900   -1.8720 H   0  0  0  0  0
    0.0020   -2.2940    1.9860 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  6 30  1  0  0  0
  7 10  1  0  0  0
  7 11  2  0  0  0
  8  9  1  0  0  0
  8 12  2  0  0  0
  8 13  1  0  0  0
  9 21  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 31  1  0  0  0
 10 32  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 14 19  2  0  0  0
 14 20  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 24  1  0  0  0
 18 19  1  0  0  0
 18 25  1  0  0  0
 19 38  1  0  0  0
 20 22  1  0  0  0
 20 23  2  0  0  0
 21 24  2  0  0  0
 21 25  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
 27 45  1  0  0  0
M  CHG  1  11   1
M  CHG  1  23   1
M  END
$$$$
