RPS
  CCTOOLS-0807261402

 48 54  0  0  0  0  0  0  0  0999 V2000
    2.5540    3.8330   -0.2590 O   0  0  0  0  0
    2.8390    2.6980    0.0750 C   0  0  0  0  0
    1.8810    1.5790    0.3400 C   0  0  0  0  0
    4.1240    2.2260    0.2780 N   0  0  0  0  0
    4.0850    0.8920    0.6440 C   0  0  0  0  0
    5.0590    0.2030    0.8860 O   0  0  0  0  0
    2.6530    0.4630    0.6920 C   0  0  0  0  0
    2.0360   -0.7380    1.0100 C   0  0  0  0  0
    0.6680   -0.7850    0.9360 C   0  5  0  0  0
   -0.1020    0.2690    0.5810 C   0  0  0  0  0
    0.4990    1.4800    0.2990 C   0  0  0  0  0
   -1.5660    0.0270    0.6220 C   0  0  0  0  0
   -2.1820    0.0720   -0.5570 N   0  0  0  0  0
   -3.5170   -0.0570   -0.5730 C   0  0  0  0  0
   -4.2690   -0.2820    0.5570 C   0  0  0  0  0
   -3.6250   -0.3220    1.7680 C   0  0  0  0  0
   -2.2550   -0.1490    1.8080 C   0  0  0  0  0
   -0.6110   -1.6910   -1.4270 RU  0  0  0  0  0
    1.3030   -1.0010   -2.5280 S   0  0  0  0  0
    1.2940    0.5880   -3.4070 C   0  0  0  0  0
   -0.0730    0.9970   -3.8210 C   0  0  0  0  0
   -1.3370    0.0660   -2.9100 S   0  0  0  0  0
   -2.5550   -0.4710   -4.1490 C   0  0  0  0  0
   -2.6190   -1.9550   -4.2580 C   0  0  0  0  0
   -3.0280   -3.4720   -0.1050 O   0  3  0  0  0
   -1.2800   -2.7710   -3.3440 S   0  0  0  0  0
   -2.1290   -2.8090   -0.5970 C   0  5  0  0  0
    0.1470   -2.6990   -4.4750 C   0  0  0  0  0
    1.4380   -2.2270   -3.8690 C   0  0  0  0  0
    4.8560    2.7030    0.1890 H   0  0  0  0  0
   -0.0260    2.2160    0.0650 H   0  0  0  0  0
    2.5440   -1.4980    1.2380 H   0  0  0  0  0
   -1.7920   -0.1730    2.6280 H   0  0  0  0  0
   -3.9540   -0.0490   -1.4090 H   0  0  0  0  0
   -5.2030   -0.3980    0.5010 H   0  0  0  0  0
   -4.1110   -0.4630    2.5640 H   0  0  0  0  0
    1.8650    0.5140   -4.1980 H   0  0  0  0  0
    1.6720    1.2720   -2.8200 H   0  0  0  0  0
    1.9140   -3.0090   -3.5250 H   0  0  0  0  0
    1.9890   -1.8470   -4.5830 H   0  0  0  0  0
   -0.1840    0.8330   -4.7790 H   0  0  0  0  0
   -0.2000    1.9510   -3.6500 H   0  0  0  0  0
   -2.3190   -0.0900   -5.0170 H   0  0  0  0  0
   -3.4350   -0.1290   -3.8920 H   0  0  0  0  0
   -2.5590   -2.2140   -5.1990 H   0  0  0  0  0
   -3.4750   -2.2700   -3.9060 H   0  0  0  0  0
   -0.0730   -2.1050   -5.2210 H   0  0  0  0  0
    0.2910   -3.5920   -4.8470 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3  7  1  0  0  0
  3 11  2  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 18  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 18 26  1  0  0  0
 18 27  1  0  0  0
 19 20  1  0  0  0
 19 29  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
 24 26  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 25 27  3  0  0  0
 26 28  1  0  0  0
 28 29  1  0  0  0
 28 47  1  0  0  0
 28 48  1  0  0  0
 29 39  1  0  0  0
 29 40  1  0  0  0
M  CHG  1   9  -1
M  CHG  1  25   1
M  CHG  1  27  -1
M  END
$$$$
