Mrv1652303302020112D          

 56 55  0  0  1  0            999 V2000
    4.4645    3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5482    3.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3008    4.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3844    5.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1370    5.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2206    6.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9732    6.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0568    7.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8094    7.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4784    7.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2310    7.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6526    7.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3216    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0742    7.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7432    6.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4958    7.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1647    6.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0811    5.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9174    7.0482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5863    6.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3389    6.9033    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4226    7.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7536    8.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8372    9.0276    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.6579    8.9440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0164    9.1112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9208    9.8484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2518   10.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3355   11.1519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0881   11.4899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6665   11.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9139   11.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7501   12.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0079    6.4205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7605    6.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8441    7.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4295    6.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1821    6.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2657    7.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0183    7.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6873    7.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4399    7.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1089    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8615    7.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5305    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2831    7.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3667    8.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1193    8.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2029    9.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9555    9.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0391   10.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7917   10.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8754   11.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0915    7.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045   10.6691    0.0000 H   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
  4  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  4  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 22 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 45 44  1  4  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 48 47  1  4  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 22 55  1  1  0  0  0
 30 56  1  6  0  0  0
M  END