A1E3Z
  CCTOOLS-0522260957

 41 44  0  0  1  0  0  0  0  0999 V2000
   -3.2520    0.9600    0.0270 C   0  0  0  0  0
   -4.6410    1.5230    0.1810 C   0  0  0  0  0
   -3.0910   -0.3300   -0.3280 C   0  0  0  0  0
   -0.7270    1.2840    0.1050 C   0  0  0  0  0
    1.5160   -1.5590   -0.6880 C   0  0  0  0  0
    2.3440   -3.5330    0.3670 C   0  0  0  0  0
    1.4530    0.9090   -0.0080 C   0  0  0  0  0
    1.1280    3.1360    0.6060 C   0  0  0  0  0
    2.6510    2.9570    0.5390 C   0  0  0  0  0
    2.8430    1.4850    0.1430 C   0  0  0  0  0
    4.7150    2.7600   -0.7120 C   0  0  0  0  0
   -1.7300   -0.9000   -0.4900 C   0  0  0  0  0
    0.8370   -0.2630   -0.3280 C   0  0  0  0  0
   -2.0870    1.8240    0.2590 C   0  0  0  0  0
   -4.3850   -2.1920    0.3750 C   0  0  0  0  0
   -0.5500   -0.0410   -0.2600 C   0  0  0  0  0
    2.5820   -4.3070    1.4450 N   0  0  0  0  0
    0.5180    1.8470    0.2550 N   0  0  0  0  0
    3.2580    2.5790   -0.7440 N   0  0  0  0  0
   -2.2470    2.9870    0.5790 O   0  0  0  0  0
    1.7410   -2.3390    0.5160 O   0  0  0  0  0
    2.6730   -3.9140   -0.7380 O   0  0  0  0  0
   -1.5880   -2.0620   -0.8090 O   0  0  0  0  0
   -4.1770   -1.1110   -0.5370 O   0  0  0  0  0
   -5.3730    0.7740   -0.1220 H   0  0  0  0  0
   -4.8100    1.7960    1.2220 H   0  0  0  0  0
   -4.7460    2.4080   -0.4480 H   0  0  0  0  0
    0.8830   -2.1230   -1.3730 H   0  0  0  0  0
    2.4720   -1.3470   -1.1670 H   0  0  0  0  0
    0.8330    3.4220    1.6160 H   0  0  0  0  0
    0.8140    3.9020   -0.1020 H   0  0  0  0  0
    3.2550    3.4540    1.2980 H   0  0  0  0  0
    3.5970    0.8600    0.6230 H   0  0  0  0  0
    5.0220    3.0560    0.2920 H   0  0  0  0  0
    5.2040    1.8240   -0.9800 H   0  0  0  0  0
    5.0010    3.5360   -1.4220 H   0  0  0  0  0
   -3.4940   -2.8190    0.4030 H   0  0  0  0  0
   -4.5810   -1.7940    1.3700 H   0  0  0  0  0
   -5.2380   -2.7860    0.0460 H   0  0  0  0  0
    3.0160   -5.1670    1.3380 H   0  0  0  0  0
    2.3190   -4.0030    2.3280 H   0  0  0  0  0
  1  3  2  0  0  0
  1 14  1  0  0  0
  2  1  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3 12  1  0  0  0
  4 16  2  0  0  0
  4 18  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 22  2  0  0  0
  6 21  1  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 19  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 33  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 23  2  0  0  0
 12 16  1  0  0  0
 13  7  2  0  0  0
 13  5  1  0  0  0
 14  4  1  0  0  0
 15 24  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 13  1  0  0  0
 17  6  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18  8  1  0  0  0
 18  7  1  0  0  0
 19 10  1  0  0  0
 19 11  1  0  0  0
 20 14  2  0  0  0
 21  5  1  0  0  0
 24  3  1  0  0  0
M  END
$$$$
