D00CEG
 Wcorina  10100417273D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 94 98  0     1  0  0  0  0  0999 V2000
   -1.1409   -2.2689   -0.2396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1332    0.5966   -2.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8937   -3.9468   -3.5000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897   -1.6145   -2.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5919   -6.1047   -6.7804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5604   -6.8502   -4.9738 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1441   -2.2073  -11.7644 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7408   -1.1633   -9.8480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3781   -4.0390   -1.3383 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274   -0.5953   -2.3410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990   -5.1147   -4.8718 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788   -3.0156  -10.2345 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3008   -1.8040   -2.3955 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1199   -4.7159   -2.5388 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2522   -6.1953   -2.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1490   -1.3068   -2.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6371   -2.7195   -1.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5507   -4.9636   -0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960   -6.2439   -0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    0.1958   -2.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3152    0.5349   -2.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638   -4.5642   -3.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0014   -4.7573    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2917   -7.3013    0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728   -0.5752   -2.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932    1.1748   -2.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6783    1.8796   -2.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553   -4.9672   -5.9718 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1000   -5.8166    1.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7382   -7.0890    1.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8199   -5.0951   -7.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6258    2.5047   -1.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2887    2.8533   -1.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5814    0.5425   -2.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1597   -3.9302   -7.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6058   -6.0431   -5.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8951   -4.0580   -8.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1329   -0.3007   -1.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1511    1.9598   -2.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9863   -0.0885   -3.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747   -2.8932   -8.9557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5689   -7.1672   -6.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970   -2.0949  -10.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1197   -1.1795  -12.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7372   -1.4696  -13.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1657   -0.9553  -14.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8784   -2.2452  -13.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7321   -1.2214  -15.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4448   -2.5113  -14.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8703   -2.0015  -15.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.3188   -3.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914   -4.3127   -2.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3955   -6.8147   -2.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2887   -6.5211   -2.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198   -1.7212   -1.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7181   -1.5738   -3.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2737   -3.7637    1.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0175   -8.2962   -0.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372    0.9007   -1.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2246   -5.6085   -5.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7211    2.1585   -2.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0308   -3.9883   -5.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492   -5.6497    2.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8133   -7.9166    2.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2715   -6.0367   -7.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423   -5.0743   -8.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3813    3.2691   -1.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006    3.8918   -1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3887   -2.9885   -7.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8821   -3.9510   -6.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4435   -4.9997   -8.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727   -4.0373   -9.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8444    0.1489   -0.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2200   -0.3413   -1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5804   -1.0982   -3.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0734   -0.1291   -3.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5935    0.5122   -4.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    2.5605   -3.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2383    1.9192   -2.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8627    2.4094   -1.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7270   -1.3104   -1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971   -2.9139   -8.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3262   -1.9515   -8.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842   -3.7593  -10.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0661   -8.1331   -6.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0655   -7.0631   -5.6572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3084   -7.1028   -7.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6271   -0.2076  -12.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8979   -1.1700  -11.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2765   -0.3459  -14.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3276   -2.6431  -12.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2853   -0.8203  -16.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3366   -3.1171  -14.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3127   -2.2097  -16.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 25  1  0  0  0  0
  2 34  1  0  0  0  0
  3 22  2  0  0  0  0
  4 25  2  0  0  0  0
  5 36  1  0  0  0  0
  5 42  1  0  0  0  0
  6 36  2  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8 43  2  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 25  1  0  0  0  0
 11 22  1  0  0  0  0
 28 11  1  0  0  0  0
 11 60  1  0  0  0  0
 12 41  1  0  0  0  0
 12 43  1  0  0  0  0
 12 84  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 14 52  1  0  0  0  0
 15 19  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 20  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 27  2  0  0  0  0
 23 29  1  0  0  0  0
 23 57  1  0  0  0  0
 24 30  1  0  0  0  0
 24 58  1  0  0  0  0
 26 32  1  0  0  0  0
 26 59  1  0  0  0  0
 27 33  1  0  0  0  0
 27 61  1  0  0  0  0
 28 31  1  0  0  0  0
 28 36  1  0  0  0  0
 28 62  1  0  0  0  0
 29 30  2  0  0  0  0
 29 63  1  0  0  0  0
 30 64  1  0  0  0  0
 31 35  1  0  0  0  0
 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
 32 33  2  0  0  0  0
 32 67  1  0  0  0  0
 33 68  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 37  1  0  0  0  0
 35 69  1  0  0  0  0
 35 70  1  0  0  0  0
 37 41  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
 38 81  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
 39 80  1  0  0  0  0
 40 75  1  0  0  0  0
 40 76  1  0  0  0  0
 40 77  1  0  0  0  0
 41 82  1  0  0  0  0
 41 83  1  0  0  0  0
 42 85  1  0  0  0  0
 42 86  1  0  0  0  0
 42 87  1  0  0  0  0
 44 45  1  0  0  0  0
 44 88  1  0  0  0  0
 44 89  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
 46 90  1  0  0  0  0
 47 49  2  0  0  0  0
 47 91  1  0  0  0  0
 48 50  2  0  0  0  0
 48 92  1  0  0  0  0
 49 50  1  0  0  0  0
 49 93  1  0  0  0  0
 50 94  1  0  0  0  0
M  END

$$$$