XVL
  CCTOOLS-1220241028

 72 78  0  0  0  0  0  0  0  0999 V2000
   -0.7900   -3.1390   -0.2010 C   0  0  0  0  0
   -1.7570   -2.0720   -0.6480 C   0  0  0  0  0
   -1.7380    0.2620   -1.2060 C   0  0  0  0  0
   -3.7920   -0.9760   -1.3110 C   0  0  0  0  0
   -3.1140   -2.1250   -0.9010 C   0  0  0  0  0
   -5.2440   -1.0280   -1.5830 C   0  0  0  0  0
   -7.5060   -0.1190   -1.3210 C   0  0  0  0  0
   -8.1860   -0.1910    0.0530 C   0  0  0  0  0
   -7.5600    0.8370    0.9570 C   0  0  0  0  0
   -6.3630    1.4250    0.7260 C   0  0  0  0  0
   -5.4890    1.1440   -0.4630 C   0  0  0  0  0
   -6.1780    2.2980    1.8120 C   0  0  0  0  0
    7.1090   -3.1780    2.1310 C   0  0  0  0  0
    6.6620   -3.0340    0.6740 C   0  0  0  0  0
    6.6100   -4.4020    1.3600 C   0  0  0  0  0
    5.3510   -2.3370    0.4140 C   0  0  0  0  0
    4.1750   -3.0560    0.4720 C   0  0  0  0  0
    2.9630   -2.4010    0.2290 C   0  0  0  0  0
    1.6770   -3.1350    0.2820 C   0  0  0  0  0
    1.6520   -4.2900    0.6600 O   0  0  0  0  0
    0.5350   -2.5230   -0.0900 N   0  0  0  0  0
   -1.0690   -0.8820   -0.7990 C   0  0  0  0  0
   -3.0920    0.2220   -1.4630 C   0  0  0  0  0
   -5.7130   -1.9610   -2.2070 O   0  0  0  0  0
   -6.0490   -0.0420   -1.1410 N   0  0  0  0  0
   -7.2420    2.1600    2.5650 N   0  0  0  0  0
   -8.0180    1.3510    2.0990 O   0  0  0  0  0
   -5.1170    3.1150    2.0350 O   0  0  0  0  0
    0.3820   -1.1120   -0.4590 C   0  0  0  0  0
    2.9970   -1.0360   -0.0630 C   0  0  0  0  0
    4.2250   -0.3880   -0.1010 C   0  0  0  0  0
    4.2750    0.9380   -0.3840 O   0  0  0  0  0
    5.5670    1.5480   -0.4090 C   0  0  0  0  0
    5.4220    3.0350   -0.7430 C   0  0  0  0  0
    6.8110    3.6630   -0.8920 C   0  0  0  0  0
    6.6580    5.1650   -1.1480 C   0  0  0  0  0
    5.9250    5.7570   -0.0740 O   0  0  0  0  0
    4.6020    5.2420    0.0840 C   0  0  0  0  0
    4.6720    3.7430    0.3890 C   0  0  0  0  0
    5.3450   -1.0470    0.1400 N   0  0  0  0  0
   -1.0970   -3.5340    0.7680 H   0  0  0  0  0
   -0.7630   -3.9440   -0.9360 H   0  0  0  0  0
   -1.1960    1.1890   -1.3230 H   0  0  0  0  0
   -3.6500   -3.0550   -0.7830 H   0  0  0  0  0
   -7.7540   -1.0100   -1.8970 H   0  0  0  0  0
   -7.8540    0.7660   -1.8530 H   0  0  0  0  0
   -9.2500    0.0180   -0.0550 H   0  0  0  0  0
   -8.0470   -1.1840    0.4780 H   0  0  0  0  0
   -5.4970    1.9980   -1.1400 H   0  0  0  0  0
   -4.4700    0.9400   -0.1350 H   0  0  0  0  0
    8.1770   -3.1140    2.3380 H   0  0  0  0  0
    6.4550   -2.7670    2.9010 H   0  0  0  0  0
    7.4360   -2.8760   -0.0760 H   0  0  0  0  0
    7.3510   -5.1430    1.0590 H   0  0  0  0  0
    5.6290   -4.7970    1.6220 H   0  0  0  0  0
    4.1900   -4.1120    0.7010 H   0  0  0  0  0
   -3.6100    1.1150   -1.7810 H   0  0  0  0  0
   -5.2120    3.9960    1.6490 H   0  0  0  0  0
    0.6700   -0.4770    0.3790 H   0  0  0  0  0
    1.0040   -0.8870   -1.3250 H   0  0  0  0  0
    2.0840   -0.4940   -0.2570 H   0  0  0  0  0
    6.0380    1.4390    0.5670 H   0  0  0  0  0
    6.1830    1.0640   -1.1670 H   0  0  0  0  0
    4.8690    3.1470   -1.6750 H   0  0  0  0  0
    7.3830    3.5060    0.0220 H   0  0  0  0  0
    7.3310    3.2020   -1.7320 H   0  0  0  0  0
    7.6440    5.6250   -1.2130 H   0  0  0  0  0
    6.1210    5.3210   -2.0840 H   0  0  0  0  0
    4.1070    5.7580    0.9070 H   0  0  0  0  0
    4.0380    5.4000   -0.8350 H   0  0  0  0  0
    3.6630    3.3390    0.4660 H   0  0  0  0  0
    5.2010    3.5880    1.3300 H   0  0  0  0  0
  1  2  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2 22  2  0  0  0
  2  5  1  0  0  0
  3 23  2  0  0  0
  3 43  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  5 44  1  0  0  0
  6 24  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 45  1  0  0  0
  7 46  1  0  0  0
  8  9  1  0  0  0
  8 47  1  0  0  0
  8 48  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 49  1  0  0  0
 11 50  1  0  0  0
 12 26  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 51  1  0  0  0
 13 52  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 53  1  0  0  0
 15 54  1  0  0  0
 15 55  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 56  1  0  0  0
 18 19  1  0  0  0
 18 30  2  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 21  1  1  0  0  0
 21 29  1  0  0  0
 22  3  1  0  0  0
 22 29  1  0  0  0
 23  4  1  0  0  0
 23 57  1  0  0  0
 25  7  1  0  0  0
 25 11  1  0  0  0
 26 27  1  0  0  0
 28 58  1  0  0  0
 29 59  1  0  0  0
 29 60  1  0  0  0
 30 31  1  0  0  0
 30 61  1  0  0  0
 31 32  1  0  0  0
 31 40  2  0  0  0
 32 33  1  0  0  0
 33 34  1  0  0  0
 33 62  1  0  0  0
 33 63  1  0  0  0
 34 35  1  0  0  0
 34 39  1  0  0  0
 34 64  1  0  0  0
 35 36  1  0  0  0
 35 65  1  0  0  0
 35 66  1  0  0  0
 36 37  1  0  0  0
 36 67  1  0  0  0
 36 68  1  0  0  0
 37 38  1  0  0  0
 38 39  1  0  0  0
 38 69  1  0  0  0
 38 70  1  0  0  0
 39 71  1  0  0  0
 39 72  1  0  0  0
M  END
$$$$
