XAX
  CCTOOLS-0807261403

 41 44  0  0  1  0  0  0  0  0999 V2000
    1.7960   -4.7120   -0.3470 P   0  0  0  0  0
   -3.5620    0.5560   -0.2520 MO  0  0  0  0  0
    4.9220    1.9470    0.6500 N   0  0  0  0  0
   -4.7600   -0.5070   -0.6920 O   0  6  0  0  0
    5.4040    2.6540   -0.3760 C   0  0  0  0  0
    6.7200    2.8140   -0.4900 N   0  0  0  0  0
   -2.7350    0.2690   -1.6660 O   0  5  0  0  0
    4.6050    3.2340   -1.3210 N   0  0  0  0  0
   -4.7820    2.3640   -1.2400 S   0  6  0  0  0
    3.2190    3.1220   -1.2970 C   0  0  0  0  0
    2.5490    3.6690   -2.1670 O   0  0  0  0  0
    1.3230    2.1700   -0.0360 N   0  0  0  0  0
    0.7410    1.5770    1.1690 C   0  0  0  0  0
    1.7320    0.6160    1.8940 C   0  0  0  0  0
    3.1170    1.0590    1.7910 N   0  0  0  0  0
    2.6880    2.3670   -0.1880 C   0  0  0  0  0
   -0.5920    0.8960    0.8460 C   0  0  0  0  0
   -1.8670    1.9000    0.4330 S   0  5  0  0  0
    3.5780    1.7830    0.7350 C   0  0  0  0  0
    2.3080   -4.5000   -1.7870 O   0  0  0  0  0
   -0.7650   -0.4430    0.9210 C   0  0  0  0  0
   -2.3220   -1.0570    0.7570 S   0  5  0  0  0
    0.5200   -5.4820   -0.3050 O   0  0  0  0  0
    0.4040   -1.3870    1.1570 C   0  0  0  0  0
    1.6640   -0.7140    1.3490 O   0  0  0  0  0
    2.9300   -5.4420    0.4030 O   0  0  0  0  0
    0.6500   -2.3450   -0.0090 C   0  0  0  0  0
    1.6810   -3.2940    0.3280 O   0  0  0  0  0
    7.2610    2.4590    0.1030 H   0  0  0  0  0
    7.0570    3.2740   -1.1580 H   0  0  0  0  0
   -3.2340    0.3970   -2.3620 H   0  0  0  0  0
    4.9770    3.6930   -1.9730 H   0  0  0  0  0
    0.8020    2.4160   -0.6880 H   0  0  0  0  0
    0.5490    2.3120    1.8060 H   0  0  0  0  0
    1.4970    0.5790    2.8550 H   0  0  0  0  0
    3.6830    0.8540    2.4380 H   0  0  0  0  0
    1.6730   -4.1240   -2.2760 H   0  0  0  0  0
    0.1940   -1.9260    1.9660 H   0  0  0  0  0
    3.0720   -6.2310    0.0270 H   0  0  0  0  0
    0.9160   -1.8270   -0.7990 H   0  0  0  0  0
   -0.1820   -2.8190   -0.2230 H   0  0  0  0  0
  1 20  1  0  0  0
  1 28  1  0  0  0
  2  9  2  0  0  0
  2  7  1  0  0  0
  3 19  1  0  0  0
  3  5  2  0  0  0
  4  2  2  0  0  0
  5  8  1  0  0  0
  6  5  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8 32  1  0  0  0
 10 11  2  0  0  0
 12 33  1  0  0  0
 13 12  1  0  0  0
 13 17  1  0  0  0
 13 34  1  0  0  0
 14 13  1  0  0  0
 14 35  1  0  0  0
 15 14  1  0  0  0
 15 19  1  0  0  0
 15 36  1  0  0  0
 16 10  1  0  0  0
 16 12  1  0  0  0
 17 18  1  0  0  0
 18  2  1  0  0  0
 19 16  2  0  0  0
 20 37  1  0  0  0
 21 17  2  0  0  0
 21 22  1  0  0  0
 22  2  1  0  0  0
 23  1  2  0  0  0
 24 21  1  0  0  0
 24 27  1  0  0  0
 24 38  1  0  0  0
 25 14  1  0  0  0
 25 24  1  0  0  0
 26  1  1  0  0  0
 26 39  1  0  0  0
 27 40  1  0  0  0
 27 41  1  0  0  0
 28 27  1  0  0  0
M  CHG  1   4  -2
M  CHG  1   7  -1
M  CHG  1   9  -2
M  CHG  1  18  -1
M  CHG  1  22  -1
M  END
$$$$
