1. Scheme 1.cdx
  corina  10161204543D 1   1.00000     0.00000 
CORINA 3.49 0024  01.06.2011
 89100  0  0  0  0  0  0  0  0999 V2000
   -0.0568    1.3700    0.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220   -0.0177    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110   -0.6804    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    0.0253    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3421    1.4360    0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1014    2.0908    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5818   -0.6133    0.1049 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7418    0.0668    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7483    1.4821    0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5472    2.1740    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3798    2.0982    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323    1.1355    0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161   -0.1424   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -0.8279    0.0087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1350   -1.8769    1.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -2.6833    1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701   -2.1870    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9605   -0.6185    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2159    0.1343    0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2130    1.5175    0.2661 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0261    2.2141    0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2235    2.4463    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5975    3.7163    0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725    3.5100    0.3253 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6072    2.3254    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3373    3.5021    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7261    4.7439    0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3614    4.8896    0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3559   -0.5096    0.2043 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7517   -2.6447   -1.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535   -2.7486    0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2701    3.3311    1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7729    2.5225   -1.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9814   -2.0491    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9980   -3.1840    0.0426 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3732    9.8896    6.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3573   11.0635    6.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3373   12.5353    6.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7727   13.0649    6.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7522   14.5718    6.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9080   15.2602    6.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6979   15.1615    6.1062 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8194   16.6026    6.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0720   17.4405    6.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7356   17.1364    6.1069 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6940   18.9230    6.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9174   19.7414    6.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8932   20.3941    6.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3901   30.1408   12.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3838   28.7540   12.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5832   28.0534   12.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7876   28.7238   12.8340 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7853   30.1134   13.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5699   30.8075   13.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9495   28.0356   12.8054 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1277   28.6533   12.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1818   30.0457   13.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0086   30.7875   13.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1410   30.9783   12.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8932   30.1438   12.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0769   28.7634   13.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1794   28.0772   12.5454 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.2693   26.6871   13.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2977   25.9517   12.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6677   26.5779   12.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3274   27.9245   12.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5579   28.5751   13.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6322   29.9268   13.3970 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.4882   30.6932   13.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6906   30.7749   13.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1374   32.0649   13.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8053   31.9500   13.6928 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.0627   30.5644   13.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8562   31.6733   13.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3165   32.9346   14.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9647   33.1680   14.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6839   27.8611   13.1155 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.5140   26.3553   11.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3502   25.8902   13.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0004   31.6991   14.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2654   32.0229   11.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6206   28.0420   14.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9506   27.3451   13.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4050   28.7701   14.9897 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.8404   27.7213   15.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1395   27.0406   14.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.1756   26.4977   14.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2976   26.5135   12.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2740   25.3941   12.5239 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  1  1  0      
  4  7  1  0      
  7  8  1  0      
  8  9  1  0      
  9 10  2  0      
 10  5  1  0      
  1 11  1  0      
 11 12  1  0      
 12 13  1  0      
 13 14  1  0      
 14  2  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17  3  1  0      
  8 18  2  0      
 18 19  1  0      
 19 20  1  0      
 20 21  1  0      
 21  9  1  0      
 20 22  1  0      
 22 23  2  0      
 23 24  1  0      
 24 21  2  0      
 22 25  1  0      
 25 26  2  0      
 26 27  1  0      
 27 28  2  0      
 28 23  1  0      
 19 29  2  0      
 17 30  1  0      
 17 31  1  0      
 11 32  1  0      
 11 33  1  0      
 18 34  1  0      
 34 35  3  0      
 36 37  3  0      
 37 38  1  0      
 38 39  1  0      
 39 40  1  0      
 40 41  1  0      
 40 42  2  0      
 41 43  1  0      
 43 44  1  0      
 43 45  2  0      
 44 46  1  0      
 46 47  1  0      
 47 48  3  0      
 49 50  2  0      
 50 51  1  0      
 51 52  2  0      
 52 53  1  0      
 53 54  2  0      
 54 49  1  0      
 52 55  1  0      
 55 56  1  0      
 56 57  1  0      
 57 58  2  0      
 58 53  1  0      
 49 59  1  0      
 59 60  1  0      
 60 61  1  0      
 61 62  1  0      
 62 50  1  0      
 62 63  1  0      
 63 64  1  0      
 64 65  1  0      
 65 51  1  0      
 56 66  2  0      
 66 67  1  0      
 67 68  1  0      
 68 69  1  0      
 69 57  1  0      
 68 70  1  0      
 70 71  2  0      
 71 72  1  0      
 72 69  2  0      
 70 73  1  0      
 73 74  2  0      
 74 75  1  0      
 75 76  2  0      
 76 71  1  0      
 67 77  2  0      
 65 78  1  0      
 65 79  1  0      
 59 80  1  0      
 59 81  1  0      
 77 82  1  0      
 82 83  1  0      
 82 84  2  0      
 83 85  1  0      
 85 86  1  0      
 86 87  3  0      
 66 88  1  0      
 88 89  3  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  34  35
M  SBL   1  1  40
M  SMT   1 CN
M  SCL   1  
M  SBV   1  40    0.0000    0.8222
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  88  89
M  SBL   2  1  99
M  SMT   2 CN
M  SCL   2  
M  SBV   2  99    0.0000   -0.6381
M  END
$$$$
