PCD
  CCTOOLS-0807261402

 74 79  0  0  1  0  0  0  0  0999 V2000
    7.3380    0.6490   -0.9420 N   0  0  0  0  0
    8.5350    0.3310   -1.6040 C   0  0  0  0  0
    9.7150    0.5750   -0.9830 N   0  0  0  0  0
    9.7490    1.1070    0.2470 C   0  0  0  0  0
    8.5480    1.4320    0.9350 C   0  0  0  0  0
    7.3850    1.1870    0.3130 C   0  0  0  0  0
    8.4980   -0.1620   -2.7390 O   0  0  0  0  0
   10.9380    1.3220    0.8020 N   0  0  0  0  0
    6.0430    0.3680   -1.6440 C   0  0  0  0  0
    5.4460   -1.0070   -1.2960 C   0  0  0  0  0
    5.1010   -1.6900   -2.4890 O   0  0  0  0  0
    4.2460   -0.6360   -0.4040 C   0  0  0  0  0
    3.8540    0.7600   -0.9080 C   0  0  0  0  0
    5.1030    1.3650   -1.3070 O   0  0  0  0  0
    3.1710   -1.5590   -0.5450 O   0  0  0  0  0
    3.1460    1.6560    0.0820 C   0  0  0  0  0
    1.7780    1.2130    0.2530 O   0  0  0  0  0
    0.5210    2.0400   -0.2470 P   0  0  0  0  0
    0.6130    3.5090   -0.0880 O   0  0  0  0  0
    0.2040    1.5890   -1.6640 O   0  0  0  0  0
   -0.6860    1.4980    0.6390 O   0  0  0  0  0
   -0.7630    0.8300    2.0850 P   0  0  0  0  0
   -0.6160    1.8820    3.1140 O   0  0  0  0  0
    0.3530   -0.2080    2.1050 O   0  0  0  0  0
   -2.1580    0.0720    2.1090 O   0  0  0  0  0
   -2.5220   -0.9360    1.1480 C   0  0  0  0  0
   -3.6290   -1.8250    1.7110 C   0  0  0  0  0
   -3.8420   -3.0880    0.8940 C   0  0  0  0  0
   -2.6490   -4.2720    0.8410 S   0  5  0  0  0
   -4.9740   -3.2920    0.1880 C   0  0  0  0  0
   -5.0870   -4.5910   -0.8620 S   0  5  0  0  0
   -6.2060   -2.3970    0.3310 C   0  0  0  0  0
   -6.1150   -1.4630    1.5780 C   0  0  0  0  0
   -4.7810   -0.9590    1.7690 O   0  0  0  0  0
   -6.4410   -1.6510   -0.9060 N   0  0  0  0  0
   -7.0820   -0.4220   -0.9280 C   0  0  0  0  0
   -7.0070   -0.3140    1.4790 N   0  0  0  0  0
   -7.3920    0.2200    0.2870 C   0  0  0  0  0
   -8.0210    1.4200    0.3330 N   0  0  0  0  0
   -8.3930    1.9790   -0.8220 C   0  0  0  0  0
   -9.0250    3.1490   -0.8020 N   0  0  0  0  0
   -8.1530    1.4030   -2.0380 N   0  0  0  0  0
   -7.5000    0.1820   -2.1700 C   0  0  0  0  0
   -7.3110   -0.2890   -3.2870 O   0  0  0  0  0
   -2.8840   -5.2130   -1.2170 MO  0  0  0  0  0
   -3.1840   -5.8420   -2.7310 O   0  0  0  0  0
   -2.5940   -3.7310   -1.9080 O   0  6  0  0  0
   -1.2590   -5.5540   -1.3000 O   0  6  0  0  0
    8.5670    1.8060    1.7990 H   0  0  0  0  0
    6.5810    1.3910    0.7490 H   0  0  0  0  0
   11.6690    1.1170    0.3640 H   0  0  0  0  0
   11.0000    1.6690    1.6050 H   0  0  0  0  0
    6.1840    0.4010   -2.6270 H   0  0  0  0  0
    6.0950   -1.5350   -0.7800 H   0  0  0  0  0
    4.8710   -2.4820   -2.3250 H   0  0  0  0  0
    4.5410   -0.6030    0.5430 H   0  0  0  0  0
    3.2730    0.6690   -1.7080 H   0  0  0  0  0
    2.5850   -1.4270    0.0430 H   0  0  0  0  0
    3.1590    2.5900   -0.2540 H   0  0  0  0  0
    3.6180    1.6340    0.9540 H   0  0  0  0  0
   -0.4940    2.0070   -2.0150 H   0  0  0  0  0
    0.4040   -0.6490    2.8720 H   0  0  0  0  0
   -1.7400   -1.4860    0.9290 H   0  0  0  0  0
   -2.8380   -0.5130    0.3200 H   0  0  0  0  0
   -3.3770   -2.0990    2.6330 H   0  0  0  0  0
   -6.9870   -2.9880    0.4810 H   0  0  0  0  0
   -6.3760   -1.9790    2.3810 H   0  0  0  0  0
   -6.1750   -1.9830   -1.6650 H   0  0  0  0  0
   -7.3170    0.0550    2.2220 H   0  0  0  0  0
   -9.1940    3.5460   -0.0370 H   0  0  0  0  0
   -9.2780    3.5330   -1.5500 H   0  0  0  0  0
   -3.9760   -6.1820   -2.7680 H   0  0  0  0  0
   -2.6330   -6.4670   -2.9570 H   0  0  0  0  0
   -8.4200    1.8160   -2.7680 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  7  2  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 49  1  0  0  0
  6 50  1  0  0  0
  8 51  1  0  0  0
  8 52  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
  9 53  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 54  1  0  0  0
 11 55  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 12 56  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 13 57  1  0  0  0
 15 58  1  0  0  0
 16 17  1  0  0  0
 16 59  1  0  0  0
 16 60  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 18 21  1  0  0  0
 20 61  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 22 25  1  0  0  0
 24 62  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 63  1  0  0  0
 26 64  1  0  0  0
 27 28  1  0  0  0
 27 34  1  0  0  0
 27 65  1  0  0  0
 28 29  1  0  0  0
 28 30  2  0  0  0
 29 45  1  0  0  0
 30 31  1  0  0  0
 30 32  1  0  0  0
 31 45  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 32 66  1  0  0  0
 33 34  1  0  0  0
 33 37  1  0  0  0
 33 67  1  0  0  0
 35 36  1  0  0  0
 35 68  1  0  0  0
 36 38  2  0  0  0
 36 43  1  0  0  0
 37 38  1  0  0  0
 37 69  1  0  0  0
 38 39  1  0  0  0
 39 40  2  0  0  0
 40 41  1  0  0  0
 40 42  1  0  0  0
 41 70  1  0  0  0
 41 71  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 45 46  1  0  0  0
 45 47  2  0  0  0
 45 48  2  0  0  0
 46 72  1  0  0  0
 46 73  1  0  0  0
 74 42  1  0  0  0
M  CHG  1  29  -1
M  CHG  1  31  -1
M  CHG  1  47  -2
M  CHG  1  48  -2
M  END
$$$$
