EAK
  CCTOOLS-0814260951

 40 43  0  0  1  0  0  0  0  0999 V2000
   -3.1430   -1.3540    0.6080 N   0  0  0  0  0
   -3.9680   -0.9020    1.5560 C   0  0  0  0  0
   -4.7290   -1.7680    2.2200 N   0  0  0  0  0
   -4.0770    0.4220    1.8770 N   0  0  0  0  0
   -3.3240    1.4070    1.2480 C   0  0  0  0  0
   -3.4670    2.5810    1.5730 O   0  0  0  0  0
   -1.6220    1.7990   -0.4920 N   0  0  0  0  0
   -0.8440    1.3890   -1.6630 C   0  0  0  0  0
   -0.5170   -0.1370   -1.6610 C   0  0  0  0  0
   -1.5370   -0.9460   -1.0060 N   0  0  0  0  0
   -2.4350    0.9290    0.2170 C   0  0  0  0  0
   -2.3670   -0.4540   -0.0450 C   0  0  0  0  0
    0.4110    2.2620   -1.8000 C   0  0  0  0  0
    0.1740    3.8970   -2.0830 S   0  5  0  0  0
    1.6670    1.7610   -1.7350 C   0  0  0  0  0
    2.9380    2.8120   -2.0700 S   0  5  0  0  0
    1.9300    0.3030   -1.3910 C   0  0  0  0  0
    0.7310   -0.3910   -0.9900 O   0  0  0  0  0
    2.9170    0.0860   -0.2410 C   0  0  0  0  0
    3.1190   -1.3190   -0.0060 O   0  0  0  0  0
    4.1060   -1.8440    1.0990 P   0  0  0  0  0
    3.7670   -1.3310    2.4570 O   0  0  0  0  0
    5.5280   -1.4410    0.6560 O   0  0  0  0  0
    4.0460   -3.3840    1.0260 O   0  0  0  0  0
    2.1700    4.9270   -1.7010 MO  0  0  0  0  0
    1.2060    7.0620   -1.3420 S   0  5  0  0  0
    2.0350    4.5950   -0.0800 O   0  6  0  0  0
   -4.6860   -2.6260    2.0340 H   0  0  0  0  0
   -5.2770   -1.4920    2.8470 H   0  0  0  0  0
   -4.6410    0.6640    2.5080 H   0  0  0  0  0
   -1.5840    2.6250   -0.2200 H   0  0  0  0  0
   -1.4010    1.5510   -2.4660 H   0  0  0  0  0
   -0.4440   -0.4480   -2.5980 H   0  0  0  0  0
   -1.6270   -1.7940   -1.2400 H   0  0  0  0  0
    2.3000   -0.1310   -2.2050 H   0  0  0  0  0
    2.5660    0.5160    0.5690 H   0  0  0  0  0
    3.7730    0.5100   -0.4630 H   0  0  0  0  0
    5.7090   -1.8130   -0.1280 H   0  0  0  0  0
    4.5900   -3.7300    1.6340 H   0  0  0  0  0
    0.0140    6.9340   -1.0920 H   0  0  0  0  0
  1 12  1  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 13 15  2  0  0  0
 13 14  1  0  0  0
 14 25  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 16 25  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 24  1  0  0  0
 21 23  1  0  0  0
 23 38  1  0  0  0
 24 39  1  0  0  0
 25 27  2  0  0  0
 25 26  1  0  0  0
 26 40  1  0  0  0
 30  4  1  0  0  0
M  CHG  1  14  -1
M  CHG  1  16  -1
M  CHG  1  26  -1
M  CHG  1  27  -2
M  END
$$$$
