HEADER
HETATM    1 C1   ORG A   1       0.380   0.160  -0.280
HETATM    2 C2   ORG A   1       0.580   0.527  -1.616
HETATM    3 HC2  ORG A   1       1.472   1.035  -1.909
HETATM    4 C3   ORG A   1       1.345   0.381   0.717
HETATM    5 C4   ORG A   1       1.019   0.008   2.026
HETATM    6 HC4  ORG A   1       1.719   0.162   2.838
HETATM    7 C5   ORG A   1      -0.218  -0.583   2.299
HETATM    8 HC5  ORG A   1      -0.418  -0.856   3.326
HETATM    9 N1   ORG A   1      -1.124  -0.817   1.341
HETATM   10 C6   ORG A   1      -0.838  -0.459   0.078
HETATM   11 C7   ORG A   1      -0.353   0.267  -2.618
HETATM   12 O1   ORG A   1      -0.021   0.654  -3.910
HETATM   13 C8   ORG A   1      -1.548  -0.360  -2.268
HETATM   14 HC8  ORG A   1      -2.303  -0.581  -3.007
HETATM   15 C9   ORG A   1      -1.779  -0.706  -0.936
HETATM   16 HC9  ORG A   1      -2.708  -1.182  -0.674
HETATM   17 C10  ORG A   1       2.713   0.965   0.468
HETATM   18 O2   ORG A   1       2.639   2.246  -0.107
HETATM   19 HC10 ORG A   1       3.227   1.058   1.433
HETATM   20 C11  ORG A   1       3.572   0.070  -0.435
HETATM   21 N2   ORG A   1       3.299  -1.363  -0.376
HETATM   22 C12  ORG A   1       5.074   0.335  -0.248
HETATM   23 H1C1 ORG A   1       5.279   0.763   0.736
HETATM   24 H2C1 ORG A   1       5.416   1.059  -0.995
HETATM   25 HC11 ORG A   1       3.350   0.405  -1.453
HETATM   26 C13  ORG A   1       5.813  -0.994  -0.403
HETATM   27 HC13 ORG A   1       6.895  -0.827  -0.434
HETATM   28 C14  ORG A   1       5.435  -1.936   0.747
HETATM   29 HC14 ORG A   1       5.769  -2.943   0.468
HETATM   30 C15  ORG A   1       3.899  -1.953   0.813
HETATM   31 H1C1 ORG A   1       3.580  -1.412   1.712
HETATM   32 H2C1 ORG A   1       3.566  -2.990   0.963
HETATM   33 C16  ORG A   1       3.867  -1.992  -1.567
HETATM   34 H1C1 ORG A   1       3.342  -1.689  -2.484
HETATM   35 H2C1 ORG A   1       3.769  -3.086  -1.518
HETATM   36 C17  ORG A   1       5.354  -1.644  -1.711
HETATM   37 H1C1 ORG A   1       5.505  -0.948  -2.547
HETATM   38 H2C1 ORG A   1       5.939  -2.550  -1.922
HETATM   39 C18  ORG A   1       2.035   3.174   0.760
HETATM   40 H3C1 ORG A   1       2.100   4.158   0.293
HETATM   41 H2C1 ORG A   1       2.551   3.206   1.729
HETATM   42 H1C1 ORG A   1       0.982   2.924   0.906
HETATM   43 C19  ORG A   1      -0.859   0.428  -5.022
HETATM   44 H3C1 ORG A   1      -0.361   0.823  -5.909
HETATM   45 H2C1 ORG A   1      -1.814   0.946  -4.885
HETATM   46 H1C1 ORG A   1      -1.027  -0.647  -5.153
HETATM   47 C20  ORG A   1       6.065  -1.625   2.104
HETATM   48 H2C2 ORG A   1       5.794  -0.610   2.420
HETATM   49 H1C2 ORG A   1       5.645  -2.317   2.847
HETATM   50 C21  ORG A   1       7.583  -1.765   2.141
HETATM   51 H3C2 ORG A   1       8.060  -1.029   1.486
HETATM   52 H2C2 ORG A   1       7.884  -2.770   1.821
HETATM   53 H1C2 ORG A   1       7.951  -1.604   3.162
CONECT    1    4   10    2
CONECT    2    1   11    3
CONECT    3    2
CONECT    4    1    5   17
CONECT    5    7    4    6
CONECT    6    5
CONECT    7    5    9    8
CONECT    8    7
CONECT    9    7   10
CONECT   10    9    1   15
CONECT   11    2   13   12
CONECT   12   11   43
CONECT   13   11   15   14
CONECT   14   13
CONECT   15   13   10   16
CONECT   16   15
CONECT   17   19   18    4   20
CONECT   18   17   39
CONECT   19   17
CONECT   20   25   22   21   17
CONECT   21   20   30   33
CONECT   22   20   26   23   24
CONECT   23   22
CONECT   24   22
CONECT   25   20
CONECT   26   22   28   36   27
CONECT   27   26
CONECT   28   26   30   29   47
CONECT   29   28
CONECT   30   28   21   31   32
CONECT   31   30
CONECT   32   30
CONECT   33   21   36   34   35
CONECT   34   33
CONECT   35   33
CONECT   36   33   26   37   38
CONECT   37   36
CONECT   38   36
CONECT   39   42   41   40   18
CONECT   40   39
CONECT   41   39
CONECT   42   39
CONECT   43   46   45   44   12
CONECT   44   43
CONECT   45   43
CONECT   46   43
CONECT   47   49   48   50   28
CONECT   48   47
CONECT   49   47
CONECT   50   53   52   51   47
CONECT   51   50
CONECT   52   50
CONECT   53   50
END  
