A1ETV
  CCTOOLS-0717261001

 59 63  0  0  0  0  0  0  0  0999 V2000
    4.0270   -1.9130    1.4100 C   0  0  0  0  0
    7.7060   -0.0970    0.9410 C   0  0  0  0  0
    7.5410    0.1030   -1.4570 C   0  0  0  0  0
   -2.1180    0.1890    0.3450 C   0  0  0  0  0
   -3.9730    1.4760    0.3730 C   0  0  0  0  0
   -6.1240    2.5590    0.3270 C   0  0  0  0  0
   -5.9810    0.2100   -0.1120 C   0  0  0  0  0
   -0.6760   -0.1130    0.4530 C   0  0  0  0  0
   -0.2410   -1.2050    1.2160 C   0  0  0  0  0
    1.0820   -1.4910    1.3220 C   0  0  0  0  0
    2.0490   -0.6950    0.6650 C   0  0  0  0  0
    1.6120    0.3970   -0.0970 C   0  0  0  0  0
    0.2550    0.6820   -0.2070 C   0  0  0  0  0
    3.0230    1.1930   -0.7880 S   0  0  0  0  0
    4.0780    0.0190   -0.0140 C   0  0  0  0  0
    3.3800   -0.8290    0.6670 N   0  3  0  0  0
    5.5510    0.0100   -0.1150 C   0  0  0  0  0
    6.3320   -0.0890    1.0390 C   0  0  0  0  0
    8.3160   -0.0010   -0.3060 C   0  0  0  0  0
    6.1670    0.1120   -1.3650 C   0  0  0  0  0
    9.7060   -0.0090   -0.4020 N   0  0  0  0  0
   10.3490   -0.0330   -1.7180 C   0  0  0  0  0
   10.5240    0.0080    0.8130 C   0  0  0  0  0
   -2.6410    1.3580    0.5090 N   0  3  0  0  0
   -4.7760    2.6310    0.5010 C   0  0  0  0  0
   -6.7370    1.3520    0.0200 C   0  0  0  0  0
   -4.5990    0.2630    0.0640 C   0  0  0  0  0
   -3.3660   -0.9910   -0.0320 S   0  0  0  0  0
   -6.7600   -1.3220   -0.5010 S   0  0  0  0  0
   -5.8690   -2.0190   -1.3610 O   0  0  0  0  0
   -7.2300   -1.8570    0.7290 O   0  0  0  0  0
   -7.9960   -1.0020   -1.3300 O   0  0  0  0  0
   -8.2310    1.2920   -0.1680 C   0  0  0  0  0
   -1.8090    2.5190    0.8330 C   0  0  0  0  0
    4.3310   -1.5500    2.3910 H   0  0  0  0  0
    3.3260   -2.7400    1.5300 H   0  0  0  0  0
    4.9030   -2.2570    0.8610 H   0  0  0  0  0
    8.3100   -0.1730    1.8330 H   0  0  0  0  0
    8.0180    0.1820   -2.4220 H   0  0  0  0  0
   -6.7240    3.4510    0.4290 H   0  0  0  0  0
   -0.9650   -1.8240    1.7240 H   0  0  0  0  0
    1.3990   -2.3370    1.9140 H   0  0  0  0  0
   -0.0740    1.5240   -0.7960 H   0  0  0  0  0
    5.8590   -0.1590    2.0070 H   0  0  0  0  0
    5.5660    0.1970   -2.2580 H   0  0  0  0  0
   10.5140    0.9880   -2.0610 H   0  0  0  0  0
   11.3060   -0.5500   -1.6450 H   0  0  0  0  0
    9.7070   -0.5560   -2.4270 H   0  0  0  0  0
    9.8770   -0.0580    1.6880 H   0  0  0  0  0
   11.2080   -0.8410    0.8020 H   0  0  0  0  0
   11.0970    0.9350    0.8540 H   0  0  0  0  0
   -4.3170    3.5790    0.7390 H   0  0  0  0  0
   -8.4730    1.4730   -1.2150 H   0  0  0  0  0
   -8.5950    0.3080    0.1250 H   0  0  0  0  0
   -8.7060    2.0540    0.4510 H   0  0  0  0  0
   -1.5050    3.0170   -0.0880 H   0  0  0  0  0
   -2.3780    3.2130    1.4510 H   0  0  0  0  0
   -0.9230    2.1910    1.3770 H   0  0  0  0  0
   -8.5020   -1.7800   -1.5990 H   0  0  0  0  0
  1 16  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2 18  2  0  0  0
  2 38  1  0  0  0
  3 20  1  0  0  0
  3 39  1  0  0  0
  4 24  2  0  0  0
  4 28  1  0  0  0
  5 27  2  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  6 40  1  0  0  0
  7 29  1  0  0  0
  7 26  2  0  0  0
  8  4  1  0  0  0
  9  8  1  0  0  0
  9 41  1  0  0  0
 10  9  2  0  0  0
 10 42  1  0  0  0
 11 12  2  0  0  0
 11 10  1  0  0  0
 12 13  1  0  0  0
 13  8  2  0  0  0
 13 43  1  0  0  0
 14 12  1  0  0  0
 15 16  2  0  0  0
 15 14  1  0  0  0
 16 11  1  0  0  0
 17 15  1  0  0  0
 18 17  1  0  0  0
 18 44  1  0  0  0
 19  3  2  0  0  0
 19  2  1  0  0  0
 20 17  2  0  0  0
 20 45  1  0  0  0
 21 19  1  0  0  0
 22 21  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 21  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
 24  5  1  0  0  0
 25  6  2  0  0  0
 25 52  1  0  0  0
 26 33  1  0  0  0
 27  7  1  0  0  0
 28 27  1  0  0  0
 29 31  2  0  0  0
 29 32  1  0  0  0
 30 29  2  0  0  0
 32 59  1  0  0  0
 33 53  1  0  0  0
 33 54  1  0  0  0
 33 55  1  0  0  0
 34 24  1  0  0  0
 34 56  1  0  0  0
 34 57  1  0  0  0
 34 58  1  0  0  0
M  CHG  1  16   1
M  CHG  1  24   1
M  END
$$$$
