AAT
  CCTOOLS-0919241027

 58 60  0  0  1  0  0  0  0  0999 V2000
   -3.4440   -1.7890    5.2210 N   0  0  0  0  0
   -2.0590   -1.6560    4.7500 C   0  0  0  0  0
   -2.0320   -0.8180    3.4980 C   0  0  0  0  0
   -1.3030    0.2810    3.4550 C   0  0  0  0  0
   -1.1360    1.1700    1.9420 S   0  0  0  0  0
   -2.1480    0.1300    0.8530 C   0  0  0  0  0
   -2.1530    0.7220   -0.5570 C   0  0  0  0  0
   -0.8150    0.7410   -1.0830 O   0  0  0  0  0
   -3.0040   -0.1580   -1.4920 C   0  0  0  0  0
   -4.0920    0.5870   -2.0400 O   0  0  0  0  0
   -2.0170   -0.5820   -2.6110 C   0  0  0  0  0
   -2.6510   -0.5410   -3.8910 O   0  0  0  0  0
   -0.9180    0.5050   -2.5040 C   0  0  0  0  0
    0.3530    0.0120   -3.0380 N   0  0  0  0  0
    1.2900   -0.7060   -2.3570 C   0  0  0  0  0
    2.2960   -0.9770   -3.1370 N   0  0  0  0  0
    2.0690   -0.4510   -4.3650 C   0  0  0  0  0
    2.7820   -0.4250   -5.5750 C   0  0  0  0  0
    4.0160   -1.0410   -5.6840 N   0  0  0  0  0
    2.2420    0.2020   -6.6140 N   0  0  0  0  0
    1.0640    0.7920   -6.5210 C   0  0  0  0  0
    0.3610    0.7930   -5.4070 N   0  0  0  0  0
    0.8180    0.1850   -4.3170 C   0  0  0  0  0
   -0.6130    0.7770    4.6990 C   0  0  0  0  0
    0.7720    0.1370    4.8040 C   0  0  0  0  0
    1.4720    0.6400    6.0680 C   0  0  0  0  0
    2.8580    0.0000    6.1730 C   0  0  0  0  0
    3.5580    0.5030    7.4360 C   0  0  0  0  0
    4.8880   -0.1110    7.5370 N   0  0  0  0  0
   -3.4140   -2.3540    6.0560 H   0  0  0  0  0
   -3.7430   -0.8680    5.5040 H   0  0  0  0  0
   -1.6520   -2.6440    4.5350 H   0  0  0  0  0
   -1.4570   -1.1750    5.5220 H   0  0  0  0  0
   -2.6090   -1.1180    2.6350 H   0  0  0  0  0
   -1.7320   -0.8760    0.8230 H   0  0  0  0  0
   -3.1690    0.0900    1.2340 H   0  0  0  0  0
   -2.5560    1.7340   -0.5330 H   0  0  0  0  0
   -3.3740   -1.0340   -0.9580 H   0  0  0  0  0
   -4.5480    0.0020   -2.6600 H   0  0  0  0  0
   -1.6050   -1.5720   -2.4150 H   0  0  0  0  0
   -3.3210   -1.2390   -3.8930 H   0  0  0  0  0
   -1.2250    1.4130   -3.0220 H   0  0  0  0  0
    1.2090   -1.0060   -1.3230 H   0  0  0  0  0
    4.4990   -1.0160   -6.5250 H   0  0  0  0  0
    4.4000   -1.4970   -4.9180 H   0  0  0  0  0
    0.6620    1.2920   -7.3890 H   0  0  0  0  0
   -1.2040    0.5090    5.5740 H   0  0  0  0  0
   -0.5090    1.8610    4.6500 H   0  0  0  0  0
    1.3640    0.4060    3.9290 H   0  0  0  0  0
    0.6680   -0.9460    4.8540 H   0  0  0  0  0
    0.8800    0.3710    6.9430 H   0  0  0  0  0
    1.5760    1.7240    6.0180 H   0  0  0  0  0
    3.4490    0.2680    5.2980 H   0  0  0  0  0
    2.7540   -1.0830    6.2220 H   0  0  0  0  0
    2.9660    0.2340    8.3110 H   0  0  0  0  0
    3.6620    1.5870    7.3870 H   0  0  0  0  0
    5.3110    0.2470    8.3800 H   0  0  0  0  0
    4.7410   -1.0980    7.6840 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 37  1  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 16  2  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 23  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 27 28  1  0  0  0
 27 53  1  0  0  0
 27 54  1  0  0  0
 28 29  1  0  0  0
 28 55  1  0  0  0
 28 56  1  0  0  0
 29 57  1  0  0  0
 29 58  1  0  0  0
M  END
$$$$
