VSU
  CCTOOLS-0807261402

 73 80  0  0  0  0  0  0  0  0999 V2000
   -3.4640  -24.8610  -19.1220 C   0  0  0  0  0
    4.4860  -26.8580  -15.7800 C   0  0  0  0  0
   -2.0220  -23.7810  -21.2480 C   0  0  0  0  0
   -3.8060  -25.1190  -20.4080 C   0  0  0  0  0
   -1.1960  -23.1580  -22.3450 C   0  0  0  0  0
    0.0110  -23.9920  -22.7380 C   0  0  0  0  0
    0.4860  -26.1260  -18.5920 C   0  0  0  0  0
    2.1520  -22.6280  -15.7900 O   0  6  0  0  0
    0.7350  -23.5540  -14.8540 V   0  0  0  0  0
    2.0200  -24.9110  -14.4550 O   0  5  0  0  0
   -0.5290  -24.9720  -14.7370 O   0  0  0  0  0
    1.5170  -26.0470  -14.6190 C   0  0  0  0  0
    0.0920  -26.0790  -14.7780 C   0  0  0  0  0
    2.2510  -27.2390  -14.6550 C   0  0  0  0  0
   -0.5200  -27.3410  -14.9700 C   0  0  0  0  0
    0.2370  -28.4660  -14.9980 C   0  0  0  0  0
    3.7440  -27.1090  -14.4790 C   0  0  0  0  0
    2.2960  -29.7500  -14.8980 C   0  0  0  0  0
    1.5860  -28.4500  -14.8490 N   0  0  0  0  0
   -0.6790  -22.7030  -17.9610 V   0  0  0  0  0
   -1.9410  -23.7130  -17.6850 O   0  0  0  0  0
   -0.6690  -22.7640  -19.6040 O   0  5  0  0  0
   -1.6330  -23.4860  -19.9360 C   0  0  0  0  0
   -2.3550  -24.0270  -18.8410 C   0  0  0  0  0
   -3.1240  -24.6090  -21.4650 N   0  0  0  0  0
   -3.5950  -24.9660  -22.8240 C   0  0  0  0  0
    2.1460  -22.6770  -17.7710 V   0  0  0  0  0
    0.7440  -24.0600  -17.4280 O   0  0  0  0  0
    3.1980  -23.9200  -17.9830 O   0  5  0  0  0
    2.6080  -24.9420  -18.4270 C   0  0  0  0  0
    1.2160  -25.0060  -18.1270 C   0  0  0  0  0
    3.2070  -25.9560  -19.1830 C   0  0  0  0  0
    1.1120  -27.0850  -19.3190 C   0  0  0  0  0
    2.4330  -27.0300  -19.6250 N   0  0  0  0  0
    2.9980  -28.1410  -20.4250 C   0  0  0  0  0
    4.6800  -25.7940  -19.4670 C   0  0  0  0  0
    4.9660  -24.9870  -20.7210 C   0  0  0  0  0
    0.5870  -22.7630  -13.4590 O   0  6  0  0  0
   -0.5250  -22.6380  -16.0250 O   0  6  0  0  0
    0.7300  -21.8630  -17.8990 O   0  6  0  0  0
   -1.5420  -21.3260  -17.9150 O   0  6  0  0  0
    3.2000  -21.4520  -17.6670 O   0  6  0  0  0
    2.2190  -22.2860  -19.3500 O   0  6  0  0  0
   -3.9630  -25.2350  -18.4130 H   0  0  0  0  0
    5.4380  -26.8020  -15.6050 H   0  0  0  0  0
    4.1810  -26.0250  -16.1720 H   0  0  0  0  0
    4.3140  -27.5870  -16.3980 H   0  0  0  0  0
   -4.5470  -25.6760  -20.5680 H   0  0  0  0  0
   -0.8900  -22.2700  -22.0630 H   0  0  0  0  0
   -1.7520  -22.9810  -23.1300 H   0  0  0  0  0
    0.4920  -23.5480  -23.4540 H   0  0  0  0  0
   -0.2830  -24.8650  -23.0400 H   0  0  0  0  0
    0.5970  -24.0950  -21.9720 H   0  0  0  0  0
   -0.4350  -26.2010  -18.4010 H   0  0  0  0  0
   -1.4560  -27.3970  -15.0780 H   0  0  0  0  0
   -0.1980  -29.2900  -15.1260 H   0  0  0  0  0
    3.9410  -26.3800  -13.8540 H   0  0  0  0  0
    4.1040  -27.9030  -14.0360 H   0  0  0  0  0
    1.6650  -30.4840  -14.9910 H   0  0  0  0  0
    2.7900  -29.8860  -14.0740 H   0  0  0  0  0
    2.9030  -29.7620  -15.6570 H   0  0  0  0  0
   -4.3260  -25.6050  -22.7780 H   0  0  0  0  0
   -2.8720  -25.3790  -23.3240 H   0  0  0  0  0
   -3.9030  -24.1680  -23.2830 H   0  0  0  0  0
    0.6030  -27.8160  -19.6220 H   0  0  0  0  0
    2.3240  -28.8210  -20.5950 H   0  0  0  0  0
    3.7260  -28.5610  -19.9380 H   0  0  0  0  0
    3.3200  -27.8010  -21.2760 H   0  0  0  0  0
    5.1130  -26.6690  -19.5230 H   0  0  0  0  0
    5.1170  -25.3600  -18.7040 H   0  0  0  0  0
    5.9250  -24.9270  -20.8560 H   0  0  0  0  0
    4.5980  -24.0950  -20.6240 H   0  0  0  0  0
    4.5590  -25.4220  -21.4870 H   0  0  0  0  0
  1  4  2  0  0  0
  1 24  1  0  0  0
  1 44  1  0  0  0
  2 17  1  0  0  0
  2 45  1  0  0  0
  2 46  1  0  0  0
  2 47  1  0  0  0
  3  5  1  0  0  0
  3 23  2  0  0  0
  3 25  1  0  0  0
  4 25  1  0  0  0
  4 48  1  0  0  0
  5  6  1  0  0  0
  5 49  1  0  0  0
  5 50  1  0  0  0
  6 51  1  0  0  0
  6 52  1  0  0  0
  6 53  1  0  0  0
  7 31  1  0  0  0
  7 33  2  0  0  0
  7 54  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 38  2  0  0  0
  9 39  1  0  0  0
 10 12  1  0  0  0
 11 13  2  0  0  0
 12 13  1  0  0  0
 12 14  2  0  0  0
 13 15  1  0  0  0
 14 17  1  0  0  0
 14 19  1  0  0  0
 15 16  2  0  0  0
 15 55  1  0  0  0
 16 19  1  0  0  0
 16 56  1  0  0  0
 17 57  1  0  0  0
 17 58  1  0  0  0
 18 19  1  0  0  0
 18 59  1  0  0  0
 18 60  1  0  0  0
 18 61  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 20 28  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 20 41  2  0  0  0
 21 24  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 25 26  1  0  0  0
 26 62  1  0  0  0
 26 63  1  0  0  0
 26 64  1  0  0  0
 27 28  1  0  0  0
 27 29  1  0  0  0
 27 40  1  0  0  0
 27 42  2  0  0  0
 27 43  1  0  0  0
 28 31  2  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 32  2  0  0  0
 32 34  1  0  0  0
 32 36  1  0  0  0
 33 34  1  0  0  0
 33 65  1  0  0  0
 34 35  1  0  0  0
 35 66  1  0  0  0
 35 67  1  0  0  0
 35 68  1  0  0  0
 36 37  1  0  0  0
 36 69  1  0  0  0
 36 70  1  0  0  0
 37 71  1  0  0  0
 37 72  1  0  0  0
 37 73  1  0  0  0
M  CHG  1   8  -2
M  CHG  1  10  -1
M  CHG  1  22  -1
M  CHG  1  29  -1
M  CHG  1  38  -2
M  CHG  1  39  -2
M  CHG  1  40  -2
M  CHG  1  41  -2
M  CHG  1  42  -2
M  CHG  1  43  -2
M  END
$$$$
