3LU
  CCTOOLS-0523251035

 56 58  0  0  1  0  0  0  0  0999 V2000
    4.3240   -1.9320   -0.0240 S   0  0  0  0  0
    6.8130    1.9560   -1.6390 C   0  0  0  0  0
    7.3710    2.2240   -0.4030 C   0  0  0  0  0
    6.8190    1.6740    0.7390 C   0  0  0  0  0
    5.1450    0.5960   -0.5900 C   0  0  0  0  0
    3.9320   -0.2920   -0.6920 C   0  0  0  0  0
    2.7980    0.3140    0.0950 C   0  0  0  0  0
   -0.8000    0.8520   -0.4280 C   0  0  0  0  0
   -4.1890    2.2880    0.4940 C   0  0  0  0  0
   -2.8600   -0.3320   -1.9370 C   0  0  0  0  0
   -3.6700    0.6370   -1.1260 C   0  0  0  0  0
    5.7000    1.1420   -1.7320 C   0  0  0  0  0
    1.5230    0.1010   -0.2870 N   0  0  0  0  0
    4.7150   -1.6680    1.4230 O   0  0  0  0  0
   -1.9120    1.4420    0.3310 N   0  0  0  0  0
    3.1500   -2.7270    0.0700 O   0  0  0  0  0
   -1.3570   -0.7810   -1.0160 S   0  0  0  0  0
    5.5090   -2.4430   -0.6190 O   0  0  0  0  0
    3.0340    0.9920    1.0720 O   0  0  0  0  0
    5.7100    0.8550    0.6450 C   0  0  0  0  0
   -0.9130    0.1270    2.4770 O   0  0  0  0  0
    0.6840   -1.2430    1.8010 O   0  0  0  0  0
   -4.6280    2.0140    1.5940 O   0  0  0  0  0
   -4.5940    3.4100   -0.1320 O   0  0  0  0  0
    0.4220    0.6900    0.4780 C   0  0  0  0  0
    0.0740   -0.2130    1.6340 C   0  0  0  0  0
   -3.2130    1.3930   -0.1540 C   0  0  0  0  0
   -5.1360    0.7540   -1.4560 C   0  0  0  0  0
    7.2450    2.3860   -2.5300 H   0  0  0  0  0
    8.2380    2.8640   -0.3290 H   0  0  0  0  0
    7.2560    1.8830    1.7050 H   0  0  0  0  0
    3.6380   -0.3870   -1.7380 H   0  0  0  0  0
   -0.5500    1.4880   -1.2770 H   0  0  0  0  0
   -3.4500   -1.2280   -2.1280 H   0  0  0  0  0
   -2.5820    0.1300   -2.8840 H   0  0  0  0  0
    5.2590    0.9390   -2.6970 H   0  0  0  0  0
    1.3350   -0.4410   -1.0690 H   0  0  0  0  0
    5.2760    0.4280    1.5370 H   0  0  0  0  0
   -1.1000   -0.4840    3.2030 H   0  0  0  0  0
   -5.2340    3.9660    0.3320 H   0  0  0  0  0
    0.7240    1.6660    0.8580 H   0  0  0  0  0
   -5.2760    0.6460   -2.5320 H   0  0  0  0  0
   -5.8790   -0.2990   -0.7590 N   0  3  0  0  0
   -5.5030    1.7300   -1.1380 H   0  0  0  0  0
    4.9550   -2.4640    1.9170 H   0  0  0  0  0
   -6.4610   -0.0200    0.3910 C   0  0  0  0  0
   -7.1710   -0.9870    1.0770 C   0  0  0  0  0
   -7.2660   -2.2630    0.5410 C   0  0  0  0  0
   -6.6410   -2.5180   -0.6700 C   0  0  0  0  0
   -5.9520   -1.4990   -1.3010 C   0  0  0  0  0
   -6.3830    0.9760    0.8010 H   0  0  0  0  0
   -7.6450   -0.7530    2.0180 H   0  0  0  0  0
   -7.8130   -3.0390    1.0550 H   0  0  0  0  0
   -6.6930   -3.5000   -1.1160 H   0  0  0  0  0
   -5.4630   -1.6890   -2.2440 H   0  0  0  0  0
   -1.7350    1.8720    1.1820 H   0  0  0  0  0
  1 16  2  0  0  0
  1 14  1  0  0  0
  2  3  2  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  4  3  1  0  0  0
  4 31  1  0  0  0
  5 12  2  0  0  0
  5 20  1  0  0  0
  6  1  1  0  0  0
  6  5  1  0  0  0
  6 32  1  0  0  0
  7  6  1  0  0  0
  8 25  1  0  0  0
  8 15  1  0  0  0
  8 17  1  0  0  0
  8 33  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 28  1  0  0  0
 12  2  1  0  0  0
 12 36  1  0  0  0
 13  7  1  0  0  0
 13 37  1  0  0  0
 14 45  1  0  0  0
 15 27  1  0  0  0
 15 56  1  0  0  0
 17 10  1  0  0  0
 18  1  2  0  0  0
 19  7  2  0  0  0
 20  4  2  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
 22 26  2  0  0  0
 23  9  2  0  0  0
 24 40  1  0  0  0
 25 13  1  0  0  0
 25 41  1  0  0  0
 26 21  1  0  0  0
 26 25  1  0  0  0
 27  9  1  0  0  0
 27 11  2  0  0  0
 28 42  1  0  0  0
 28 43  1  0  0  0
 28 44  1  0  0  0
 43 46  1  0  0  0
 46 47  2  0  0  0
 46 51  1  0  0  0
 47 48  1  0  0  0
 47 52  1  0  0  0
 48 49  2  0  0  0
 48 53  1  0  0  0
 49 50  1  0  0  0
 49 54  1  0  0  0
 50 43  2  0  0  0
 50 55  1  0  0  0
M  CHG  1  43   1
M  END
$$$$
