HEADER
HETATM    1  C1  ORG A   1      -0.156   0.831  -1.276
HETATM    2  C2  ORG A   1      -0.151   0.555   0.204
HETATM    3  O1  ORG A   1      -0.178   1.988  -1.725
HETATM    4  O2  ORG A   1      -0.137  -0.229  -2.162
HETATM    5  H1  ORG A   1      -0.145   0.199  -3.021
HETATM    6  H2  ORG A   1       0.747  -0.022   0.447
HETATM    7  C3  ORG A   1      -0.174   1.830   1.043
HETATM    8  H3  ORG A   1      -1.027  -0.054   0.448
HETATM    9  H4  ORG A   1       0.699   2.433   0.792
HETATM   10  H5  ORG A   1      -1.068   2.401   0.792
HETATM   11  C4  ORG A   1      -0.168   1.540   2.542
HETATM   12  H6  ORG A   1       0.728   0.969   2.791
HETATM   13  C5  ORG A   1      -0.192   2.819   3.377
HETATM   14  H7  ORG A   1      -1.043   0.937   2.792
HETATM   15  H8  ORG A   1       0.683   3.422   3.128
HETATM   16  H9  ORG A   1      -1.088   3.390   3.128
HETATM   17  C6  ORG A   1      -0.186   2.529   4.876
HETATM   18  H10 ORG A   1       0.711   1.958   5.124
HETATM   19  C7  ORG A   1      -0.209   3.807   5.712
HETATM   20  H11 ORG A   1      -1.061   1.925   5.125
HETATM   21  H12 ORG A   1       0.666   4.411   5.464
HETATM   22  H13 ORG A   1      -1.106   4.379   5.465
HETATM   23  C8  ORG A   1      -0.203   3.516   7.211
HETATM   24  H14 ORG A   1       0.695   2.944   7.458
HETATM   25  C9  ORG A   1      -0.226   4.770   8.033
HETATM   26  H15 ORG A   1      -1.080   2.912   7.458
HETATM   27  C10 ORG A   1      -0.225   4.767   9.533
HETATM   28  C11 ORG A   1      -0.248   6.021  10.356
HETATM   29  H16 ORG A   1       0.629   6.625  10.108
HETATM   30  H17 ORG A   1      -1.146   6.592  10.109
HETATM   31  C12 ORG A   1      -0.242   5.735  11.828
HETATM   32  C13 ORG A   1      -0.264   6.980  12.642
HETATM   33  C14 ORG A   1      -0.258   6.700  14.090
HETATM   34  C15 ORG A   1      -0.231   5.242  14.381
HETATM   35  H18 ORG A   1      -1.109   4.773  13.932
HETATM   36  H19 ORG A   1       0.663   4.805  13.931
HETATM   37  C16 ORG A   1      -0.225   4.951  15.880
HETATM   38  H20 ORG A   1      -1.118   5.386  16.331
HETATM   39  C17 ORG A   1      -0.197   3.454  16.180
HETATM   40  H21 ORG A   1       0.652   5.419  16.331
HETATM   41  H22 ORG A   1      -1.074   2.983  15.733
HETATM   42  H23 ORG A   1       0.696   3.016  15.732
HETATM   43  C18 ORG A   1      -0.191   3.162  17.674
HETATM   44  H24 ORG A   1      -1.086   3.575  18.138
HETATM   45  C19 ORG A   1      -0.163   1.681  17.903
HETATM   46  H25 ORG A   1       0.689   3.608  18.137
HETATM   47  H26 ORG A   1       0.670   5.383   7.798
HETATM   48  H27 ORG A   1      -1.143   5.350   7.799
HETATM   49  H28 ORG A   1      -1.122   4.226   9.903
HETATM   50  H29 ORG A   1       0.691   4.260   9.902
HETATM   51  H30 ORG A   1       0.751   1.252  17.441
HETATM   52  C20 ORG A   1      -0.158   1.402  19.376
HETATM   53  H31 ORG A   1      -1.062   1.218  17.442
HETATM   54  H32 ORG A   1       0.741   1.865  19.837
HETATM   55  H33 ORG A   1      -1.072   1.831  19.838
HETATM   56  C21 ORG A   1      -0.130  -0.080  19.605
HETATM   57  H34 ORG A   1       0.784  -0.508  19.144
HETATM   58  C22 ORG A   1      -0.124  -0.358  21.079
HETATM   59  H35 ORG A   1      -1.028  -0.542  19.145
HETATM   60  H36 ORG A   1      -1.137   5.134  12.092
HETATM   61  H37 ORG A   1       0.676   5.168  12.091
HETATM   62  H38 ORG A   1      -0.283   7.959  12.147
HETATM   63  H39 ORG A   1      -0.273   7.529  14.810
HETATM   64  H40 ORG A   1      -0.104  -1.455  21.248
HETATM   65  H41 ORG A   1       0.774   0.105  21.539
HETATM   66  H42 ORG A   1      -1.039   0.071  21.540
CONECT    1    2    3    4
CONECT    2    1    6    7    8
CONECT    3    1
CONECT    4    1    5
CONECT    5    4
CONECT    6    2
CONECT    7    2    9   10   11
CONECT    8    2
CONECT    9    7
CONECT   10    7
CONECT   11    7   12   13   14
CONECT   12   11
CONECT   13   11   15   16   17
CONECT   14   11
CONECT   15   13
CONECT   16   13
CONECT   17   13   18   19   20
CONECT   18   17
CONECT   19   17   21   22   23
CONECT   20   17
CONECT   21   19
CONECT   22   19
CONECT   23   19   24   25   26
CONECT   24   23
CONECT   25   23   27   47   48
CONECT   26   23
CONECT   27   25   28   49   50
CONECT   28   27   29   30   31
CONECT   29   28
CONECT   30   28
CONECT   31   28   32   60   61
CONECT   32   31   33   62
CONECT   33   32   34   63
CONECT   34   33   35   36   37
CONECT   35   34
CONECT   36   34
CONECT   37   34   38   39   40
CONECT   38   37
CONECT   39   37   41   42   43
CONECT   40   37
CONECT   41   39
CONECT   42   39
CONECT   43   39   44   45   46
CONECT   44   43
CONECT   45   43   51   52   53
CONECT   46   43
CONECT   47   25
CONECT   48   25
CONECT   49   27
CONECT   50   27
CONECT   51   45
CONECT   52   45   54   55   56
CONECT   53   45
CONECT   54   52
CONECT   55   52
CONECT   56   52   57   58   59
CONECT   57   56
CONECT   58   56   64   65   66
CONECT   59   56
CONECT   60   31
CONECT   61   31
CONECT   62   32
CONECT   63   33
CONECT   64   58
CONECT   65   58
CONECT   66   58
END  
