PG1
  CCTOOLS-0919241032

 53 54  0  0  1  0  0  0  0  0999 V2000
   -0.4630    1.0780    2.4870 S   0  0  0  0  0
    0.7480    2.2870    1.8410 C   0  0  0  0  0
    0.2640    3.5890    2.5060 C   0  0  0  0  0
   -0.0410    3.3010    3.9100 N   0  0  0  0  0
   -0.8720    2.0930    3.9460 C   0  0  0  0  0
   -2.3610    2.4240    3.9510 C   0  0  0  0  0
   -3.1840    1.1460    3.9650 C   0  0  0  0  0
   -3.5320    0.5930    5.0040 O   0  0  0  0  0
    0.6540    2.3570    0.3170 C   0  0  0  0  0
    2.1490    1.8300    2.2720 C   0  0  0  0  0
    1.2940    4.6740    2.4880 C   0  0  0  0  0
    1.2690    5.4450    3.4880 O   0  0  0  0  0
    2.0540    4.6800    1.4800 O   0  5  0  0  0
   -2.6700    3.2800    5.0660 N   0  0  0  0  0
   -3.6950    4.2190    5.0330 C   0  0  0  0  0
   -4.4340    4.4160    4.0720 O   0  0  0  0  0
   -3.8020    4.9780    6.3410 C   0  0  0  0  0
   -3.6140    6.4640    6.1860 C   0  0  0  0  0
   -2.3400    7.0050    6.2900 C   0  0  0  0  0
   -2.1650    8.3810    6.1460 C   0  0  0  0  0
   -3.2660    9.2020    5.9000 C   0  0  0  0  0
   -4.5410    8.6470    5.7970 C   0  0  0  0  0
   -4.7160    7.2700    5.9410 C   0  0  0  0  0
   -5.4630   -1.9900    1.1340 N   0  0  0  0  0
   -4.5460   -0.8720    1.1830 C   0  0  0  0  0
   -4.2700   -0.4820    2.6330 C   0  0  0  0  0
   -3.4850    0.7130    2.7090 O   0  0  0  0  0
   -3.3030   -1.1250    0.3090 C   0  0  0  0  0
   -3.1620   -0.3720   -0.6940 O   0  0  0  0  0
   -2.5690   -2.0800    0.6980 O   0  5  0  0  0
   -0.6280    3.9890    2.0060 H   0  0  0  0  0
    0.8340    3.0910    4.3930 H   0  0  0  0  0
   -0.6440    1.5180    4.8490 H   0  0  0  0  0
   -2.6310    2.9790    3.0480 H   0  0  0  0  0
    1.2420    1.5560   -0.1420 H   0  0  0  0  0
   -0.3850    2.2510   -0.0100 H   0  0  0  0  0
    1.0340    3.3160   -0.0490 H   0  0  0  0  0
    2.5290    1.0630    1.5900 H   0  0  0  0  0
    2.8470    2.6720    2.2670 H   0  0  0  0  0
    2.1220    1.4100    3.2820 H   0  0  0  0  0
   -2.1140    3.1950    5.9150 H   0  0  0  0  0
   -3.0550    4.5840    7.0410 H   0  0  0  0  0
   -4.7850    4.7740    6.7850 H   0  0  0  0  0
   -1.4770    6.3730    6.4820 H   0  0  0  0  0
   -1.1720    8.8140    6.2260 H   0  0  0  0  0
   -3.1290   10.2740    5.7880 H   0  0  0  0  0
   -5.3980    9.2860    5.6050 H   0  0  0  0  0
   -5.7130    6.8470    5.8600 H   0  0  0  0  0
   -5.0920   -2.9120    0.9930 H   0  0  0  0  0
   -6.4440   -1.8060    1.0360 H   0  0  0  0  0
   -5.0750   -0.0350    0.7100 H   0  0  0  0  0
   -5.1990   -0.3190    3.1900 H   0  0  0  0  0
   -3.7090   -1.2730    3.1430 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 26 53  1  0  0  0
 28 29  2  0  0  0
 28 30  1  0  0  0
M  CHG  1  13  -1
M  CHG  1  30  -1
M  END
$$$$
