A1EQT
  CCTOOLS-0313261112

 65 67  0  0  1  0  0  0  0  0999 V2000
    3.0530    0.7040    2.2780 N   0  0  0  0  0
   -1.4440   -1.4950    1.2530 N   0  0  0  0  0
    4.4530    2.8140    0.1860 C   0  0  0  0  0
    5.2250    3.9280   -0.0860 C   0  0  0  0  0
    4.6700    5.0100   -0.7440 C   0  0  0  0  0
    3.3440    4.9770   -1.1320 C   0  0  0  0  0
    2.5720    3.8620   -0.8610 C   0  0  0  0  0
    2.0730   -2.4570   -0.6290 C   0  0  0  0  0
    1.2730   -4.8520   -0.7340 C   0  0  0  0  0
   -0.0700   -2.9800    0.2920 C   0  0  0  0  0
   -1.9880   -0.2360    1.7700 C   0  0  0  0  0
   -3.9210    2.4280   -0.1850 C   0  0  0  0  0
   -5.3920    2.0140   -0.2450 C   0  0  0  0  0
   -5.5310    2.3360   -2.6410 C   0  0  0  0  0
   -2.0820   -2.6950    1.3080 C   0  0  0  0  0
   -1.6200   -5.0450    0.5970 C   0  0  0  0  0
    2.1390    1.4070    1.5800 C   0  0  0  0  0
    2.2870    1.5640    0.0890 C   0  0  0  0  0
    3.1280    2.7790   -0.2070 C   0  0  0  0  0
    3.0880    0.0930   -0.5960 S   0  0  0  0  0
    1.8550   -1.1170   -0.2510 C   0  0  0  0  0
    3.2860   -2.8390   -1.2880 C   0  0  0  0  0
    4.2480   -3.1410   -1.8110 N   0  0  0  0  0
    1.0870   -3.4070   -0.3500 C   0  0  0  0  0
    0.7230   -5.0800   -2.1430 C   0  0  0  0  0
   -0.2210   -1.6250    0.6400 C   0  0  0  0  0
   -2.6750    0.5100    0.6550 C   0  0  0  0  0
   -3.2530    1.7020    0.8990 N   0  0  0  0  0
   -3.2150    2.2730    2.2470 C   0  0  0  0  0
   -6.0610    2.7410   -1.3320 N   0  0  0  0  0
   -7.5170    2.5530   -1.2740 C   0  0  0  0  0
   -2.7060    0.0370   -0.4610 O   0  0  0  0  0
   -1.3040   -3.6550    0.7360 C   0  0  0  0  0
   -1.8700   -6.1480    0.4870 N   0  0  0  0  0
    0.7410   -0.7530    0.3570 N   0  0  0  0  0
    1.1970    1.9120    2.1530 O   0  0  0  0  0
    2.9970    0.6620    3.2450 H   0  0  0  0  0
    3.7650    0.2380    1.8120 H   0  0  0  0  0
    4.8860    1.9700    0.7010 H   0  0  0  0  0
    6.2610    3.9540    0.2170 H   0  0  0  0  0
    5.2730    5.8800   -0.9560 H   0  0  0  0  0
    2.9100    5.8220   -1.6460 H   0  0  0  0  0
    1.5370    3.8350   -1.1680 H   0  0  0  0  0
    2.3340   -5.1000   -0.7140 H   0  0  0  0  0
    0.7380   -5.4870   -0.0280 H   0  0  0  0  0
   -2.7070   -0.4490    2.5610 H   0  0  0  0  0
   -1.1780    0.3730    2.1700 H   0  0  0  0  0
   -3.4370    2.1900   -1.1330 H   0  0  0  0  0
   -3.8520    3.5000   -0.0010 H   0  0  0  0  0
   -5.4610    0.9420   -0.4300 H   0  0  0  0  0
   -5.8760    2.2510    0.7020 H   0  0  0  0  0
   -5.6920    1.2680   -2.7840 H   0  0  0  0  0
   -6.0430    2.8900   -3.4280 H   0  0  0  0  0
   -4.4630    2.5510   -2.6820 H   0  0  0  0  0
   -3.0570   -2.8610    1.7410 H   0  0  0  0  0
    1.3020    1.6850   -0.3630 H   0  0  0  0  0
    1.2580   -4.4450   -2.8490 H   0  0  0  0  0
    0.8570   -6.1260   -2.4210 H   0  0  0  0  0
   -0.3390   -4.8320   -2.1640 H   0  0  0  0  0
   -2.3230    2.8890    2.3560 H   0  0  0  0  0
   -4.1020    2.8860    2.4070 H   0  0  0  0  0
   -3.1930    1.4680    2.9820 H   0  0  0  0  0
   -7.8930    2.9250   -0.3210 H   0  0  0  0  0
   -7.9880    3.1020   -2.0890 H   0  0  0  0  0
   -7.7510    1.4920   -1.3670 H   0  0  0  0  0
  1 17  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 39  1  0  0  0
  4 40  1  0  0  0
  5  4  1  0  0  0
  5 41  1  0  0  0
  6  5  2  0  0  0
  6 42  1  0  0  0
  7 19  2  0  0  0
  7  6  1  0  0  0
  7 43  1  0  0  0
  8 21  1  0  0  0
  8 22  1  0  0  0
  9 24  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 26  2  0  0  0
 10 24  1  0  0  0
 11  2  1  0  0  0
 11 27  1  0  0  0
 11 46  1  0  0  0
 11 47  1  0  0  0
 12 48  1  0  0  0
 12 49  1  0  0  0
 13 30  1  0  0  0
 13 12  1  0  0  0
 13 50  1  0  0  0
 13 51  1  0  0  0
 14 30  1  0  0  0
 14 52  1  0  0  0
 14 53  1  0  0  0
 14 54  1  0  0  0
 15 33  2  0  0  0
 15  2  1  0  0  0
 15 55  1  0  0  0
 16 33  1  0  0  0
 17 36  2  0  0  0
 18 20  1  0  0  0
 18 17  1  0  0  0
 18 19  1  0  0  0
 18 56  1  0  0  0
 19  3  1  0  0  0
 21 20  1  0  0  0
 22 23  3  0  0  0
 24  8  2  0  0  0
 25  9  1  0  0  0
 25 57  1  0  0  0
 25 58  1  0  0  0
 25 59  1  0  0  0
 26 35  1  0  0  0
 27 28  1  0  0  0
 27 32  2  0  0  0
 28 12  1  0  0  0
 29 28  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
 29 62  1  0  0  0
 31 30  1  0  0  0
 31 63  1  0  0  0
 31 64  1  0  0  0
 31 65  1  0  0  0
 33 10  1  0  0  0
 34 16  3  0  0  0
 35 21  2  0  0  0
M  END
$$$$
