Molfile to HTML - Design H5

Caffeine
  -OEChem-04211609112D

24 25  0     0  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443    1.5626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476    2.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    1.9479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

Caffeine
  -OEChem-04191610443D

24 25  0     0  0  0  0  0  0999 V2000
    0.4700    2.5688    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271   -0.4436   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9686   -1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182    0.1412   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477    1.0797   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -1.9372    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579    0.2592   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.0264   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307    1.4220   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9061   -0.2495   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -1.1998    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -2.6960    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    1.2061    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969    2.1881    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5163   -1.5787    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451   -3.1973   -0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186   -2.7596    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -3.1963    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1992    0.7801    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468    1.8092   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0466    1.8083    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8087    3.1651   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9322    2.1027    0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9346    2.1021   -0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END

Caffeine
  -OEChem-04211609112D w/o H

14 15  0     0  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END

Meldonium
  -OEChem-09171614343D

24 23  0     0  0  0  0  0  0999 V2000
   -3.8703   -0.6676    0.0135 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.6851    1.2834   -0.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129    0.0230    0.0010 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9602   -0.6969    0.0345 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2769   -1.0653   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3697    0.8421    1.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2824    0.8652   -1.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2410    0.1323    0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4890   -0.7411   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8165    0.0251   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9409   -1.3083    0.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1196   -1.6722   -0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.5810   -0.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054   -1.6817    0.8495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974    0.2010    2.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920    1.2331    1.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690    1.6814    1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    1.2199   -1.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0059    0.2513   -2.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    1.7330   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2660    0.7850   -0.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2855    0.7662    0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776   -1.3665   -0.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4972   -1.4168    0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END

Meldonium
  FlaME v.2011.04 
              
 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2124   -0.3500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2124    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   -1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4248   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4248    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2124   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  CHG  1   4  -1
M  CHG  1   5   1
M  END

Colecalciferol; Vitamin D3
  -OEChem-09171615073D

72 74  0     1  0  0  0  0  0999 V2000
   -6.6365   -0.6900   -2.1167 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    1.2867    0.2961 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4804    0.4095    0.5543 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2181    0.1800   -0.0951 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9307   -0.8174    1.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -0.9016    0.9680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    2.2852   -0.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6419    1.0789    1.2749 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1547    0.7401   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131    2.0650    1.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1749    2.3379   -1.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1663    2.0457   -1.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.1405    1.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843    2.3316    0.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980    0.1554    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4379   -0.4595    0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5887   -1.4392    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6009    0.7067   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2217   -1.9863   -0.8730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7457    0.1218    0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0970    0.7066   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7443   -0.8761   -1.7861 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975   -2.8353   -1.6310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7817   -1.1345    0.8771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0565   -0.3335   -0.8012 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7286   -2.1737    0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1213   -1.5944    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0558   -1.3497    1.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8229    0.0562   -0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449   -0.2659   -1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4533   -1.7295    1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0520   -0.7215    2.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1679   -1.8959    0.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650   -0.7183    1.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2575    2.0329   -1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    3.3008   -0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3366    1.3901    2.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1478    2.5726    1.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166    1.4121    2.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5372    2.8425    1.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    1.6047   -2.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1359    3.3180   -2.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4081    2.8732   -0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204    2.0291   -1.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5673   -0.6812    2.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    0.6833    1.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861    3.1612    0.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    2.7014    0.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2485    2.1368   -0.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2037   -0.8114    0.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7807    0.3615   -0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6498   -0.9869   -0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326   -2.2734    1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3673   -0.9309    1.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6756    1.6448   -0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  2  0  0  0  0
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 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 65  1  0  0  0  0
 26 27  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 27 68  1  0  0  0  0
 27 69  1  0  0  0  0
 28 70  1  0  0  0  0
 28 71  1  0  0  0  0
M  END

64152 1-Adamantanol
  -OEChem-08171614583D

27 29  0     0  0  0  0  0  0999 V2000
   -2.6926    0.0000   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7873    1.2603    0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7754   -1.2643    0.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -0.0033   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502    1.2612    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7619   -1.2507    0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7494    0.0040   -1.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2868   -0.0039    1.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003    1.2490   -0.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2886   -1.2595   -0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560    2.1531    1.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3833   -0.0091    1.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9402   -0.0017    2.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END

64152 1-Adamantanol
  -OEChem-08171614482D

27 29  0     0  0  0  0  0  0999 V2000
    3.6730    1.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819   -1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -0.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9819   -0.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368    0.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6730   -1.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8876   -1.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1016   -1.1059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8068   -1.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -1.7235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0430   -1.7235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5782   -2.3724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4127   -2.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2099    1.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
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  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
M  END

123591 Fullerene C60
  MJ160704

60 90  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
  1  9  1  0  0  0  0
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  2  4  2  0  0  0  0
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  2 50  1  0  0  0  0
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  3 55  1  0  0  0  0
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  7 13  1  0  0  0  0
  7 53  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  8 54  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 59  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 12 60  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 25  2  0  0  0  0
 16 26  2  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  2  0  0  0  0
 21 28  1  0  0  0  0
 22 29  2  0  0  0  0
 23 27  2  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 39  1  0  0  0  0
 33 36  2  0  0  0  0
 33 40  1  0  0  0  0
 34 37  2  0  0  0  0
 34 38  1  0  0  0  0
 35 36  1  0  0  0  0
 35 47  2  0  0  0  0
 36 48  1  0  0  0  0
 37 41  1  0  0  0  0
 37 43  1  0  0  0  0
 38 42  2  0  0  0  0
 38 44  1  0  0  0  0
 39 41  2  0  0  0  0
 39 45  1  0  0  0  0
 40 42  1  0  0  0  0
 40 46  2  0  0  0  0
 41 51  1  0  0  0  0
 42 52  1  0  0  0  0
 43 44  2  0  0  0  0
 43 57  1  0  0  0  0
 44 58  1  0  0  0  0
 45 49  2  0  0  0  0
 45 53  1  0  0  0  0
 46 50  1  0  0  0  0
 46 54  1  0  0  0  0
 47 49  1  0  0  0  0
 47 55  1  0  0  0  0
 48 50  2  0  0  0  0
 48 56  1  0  0  0  0
 51 53  2  0  0  0  0
 51 59  1  0  0  0  0
 52 54  2  0  0  0  0
 52 60  1  0  0  0  0
 55 56  2  0  0  0  0
 57 59  2  0  0  0  0
 58 60  2  0  0  0  0
M  END

TEST MOLFILE
  PD

24 25  0     0  0  0  0  0  0999 V2000
    0.4700    2.5688    0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271   -0.4436   -0.0003 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9686   -1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182    0.1412   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477    1.0797   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -1.9372    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579    0.2592   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.0264   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307    1.4220   -0.0006 C   0  3  0  0  0  0  0  0  0  0  0  0
   -1.9061   -0.2495   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -1.1998    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -2.6960    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    1.2061    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969    2.1881    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5163   -1.5787    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451   -3.1973   -0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186   -2.7596    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -3.1963    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1992    0.7801    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468    1.8092   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0466    1.8083    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8087    3.1651   -0.0003 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9322    2.1027    0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9346    2.1021   -0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  3  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  CHG  1   9   1
M  END

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DESIGN H5 @ WINCEPT

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DESIGN H5 @ WINCEPT

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