RFQ
  CCTOOLS-0418250950

 54 57  0  0  1  0  0  0  0  0999 V2000
   -8.2240   -1.4600    0.6510 S   0  0  0  0  0
   -8.6390   -3.1080    0.4980 C   0  0  0  0  0
   -7.6140   -3.8160    0.0140 C   0  0  0  0  0
   -6.4740   -3.0880   -0.2490 C   0  0  0  0  0
   -6.6040   -1.7610    0.0360 C   0  0  0  0  0
   -5.5570   -0.7440   -0.1440 C   0  0  0  0  0
   -5.8110    0.5740    0.1830 N   0  0  0  0  0
   -4.3860   -1.0870   -0.6120 N   0  0  0  0  0
   -4.7810    1.5180    0.1330 C   0  0  0  0  0
   -5.0290    2.7930   -0.3580 C   0  0  0  0  0
   -4.0090    3.7240   -0.4070 C   0  0  0  0  0
   -2.7430    3.3860    0.0330 C   0  0  0  0  0
   -2.4920    2.1170    0.5230 C   0  0  0  0  0
   -3.5090    1.1840    0.5790 C   0  0  0  0  0
   -1.1100    1.7540    1.0010 C   0  0  0  0  0
   -0.5490    2.8560    1.7170 O   0  0  0  0  0
    8.1560   -2.0030   -0.0540 S   0  0  0  0  0
    9.4310   -1.8670    1.0710 C   0  0  0  0  0
    9.2400   -0.8250    1.8860 C   0  0  0  0  0
    8.0900   -0.1040    1.6520 C   0  0  0  0  0
    7.3480   -0.5930    0.6180 C   0  0  0  0  0
    6.0750   -0.0310    0.1410 C   0  0  0  0  0
    5.4150   -0.6190   -0.9210 N   0  0  0  0  0
    5.5680    1.0250    0.7210 N   0  0  0  0  0
    4.1470   -0.1650   -1.2940 C   0  0  0  0  0
    3.8140   -0.0570   -2.6380 C   0  0  0  0  0
    2.5610    0.3930   -3.0070 C   0  0  0  0  0
    1.6350    0.7360   -2.0400 C   0  0  0  0  0
    1.9620    0.6300   -0.6950 C   0  0  0  0  0
    3.2160    0.1740   -0.3210 C   0  0  0  0  0
    1.0500    0.9670    0.2550 O   0  0  0  0  0
   -0.2250    1.4230   -0.2030 C   0  0  0  0  0
   -9.6020   -3.5230    0.7560 H   0  0  0  0  0
   -7.6740   -4.8800   -0.1570 H   0  0  0  0  0
   -5.5680   -3.5250   -0.6420 H   0  0  0  0  0
   -6.7050    0.8450    0.4470 H   0  0  0  0  0
   -3.7270   -0.4050   -0.8150 H   0  0  0  0  0
   -6.0180    3.0570   -0.7030 H   0  0  0  0  0
   -4.2010    4.7150   -0.7890 H   0  0  0  0  0
   -1.9470    4.1150   -0.0050 H   0  0  0  0  0
   -3.3140    0.1950    0.9660 H   0  0  0  0  0
   -1.1690    0.8860    1.6570 H   0  0  0  0  0
   -0.4660    3.6640    1.1930 H   0  0  0  0  0
   10.2790   -2.5340    1.1190 H   0  0  0  0  0
    9.9360   -0.5670    2.6700 H   0  0  0  0  0
    7.8040    0.7620    2.2300 H   0  0  0  0  0
    4.7780    1.4490    0.3510 H   0  0  0  0  0
    4.5360   -0.3240   -3.3960 H   0  0  0  0  0
    2.3050    0.4770   -4.0520 H   0  0  0  0  0
    0.6560    1.0870   -2.3310 H   0  0  0  0  0
    3.4700    0.0860    0.7250 H   0  0  0  0  0
   -0.6980    0.6430   -0.7980 H   0  0  0  0  0
   -0.0930    2.3170   -0.8130 H   0  0  0  0  0
    5.8310   -1.3480   -1.4070 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  2  3  2  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6  8  2  0  0  0
  7  9  1  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 15 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 21  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 24  2  0  0  0
 23 25  1  0  0  0
 23 54  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 29  1  0  0  0
 28 50  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 30 51  1  0  0  0
 31 32  1  0  0  0
 32 52  1  0  0  0
 32 53  1  0  0  0
M  END
$$$$
