HEADER
HETATM    1  C1  ORG A   1       1.322  -0.072   0.497
HETATM    2  H1  ORG A   1       2.026   0.581   1.033
HETATM    3  C2  ORG A   1       0.412   0.814  -0.369
HETATM    4  O1  ORG A   1       2.074  -0.940  -0.314
HETATM    5  C3  ORG A   1       0.503  -0.838   1.541
HETATM    6  C4  ORG A   1       1.209   1.502  -1.480
HETATM    7  C5  ORG A   1      -0.717  -0.023  -1.018
HETATM    8  H2  ORG A   1      -0.030   1.583   0.277
HETATM    9  C6  ORG A   1      -1.562   0.821  -1.988
HETATM   10  H3  ORG A   1      -0.225  -0.783  -1.625
HETATM   11  C7  ORG A   1      -0.644  -1.650   0.924
HETATM   12  H4  ORG A   1       1.165  -1.511   2.097
HETATM   13  H5  ORG A   1       0.086  -0.120   2.257
HETATM   14  C8  ORG A   1      -1.571  -0.756   0.054
HETATM   15  C9  ORG A   1      -0.096  -2.858   0.147
HETATM   16  C10 ORG A   1      -2.656  -1.647  -0.596
HETATM   17  C11 ORG A   1      -2.305   0.254   0.958
HETATM   18  H6  ORG A   1      -3.282  -1.043  -1.256
HETATM   19  C12 ORG A   1      -2.090  -2.823  -1.384
HETATM   20  H7  ORG A   1      -3.011   0.843   0.373
HETATM   21  H8  ORG A   1      -2.862  -0.275   1.734
HETATM   22  H9  ORG A   1      -1.604   0.934   1.441
HETATM   23  C13 ORG A   1      -0.723   1.567  -3.036
HETATM   24  H10 ORG A   1      -2.267   0.172  -2.517
HETATM   25  H11 ORG A   1      -2.141   1.551  -1.419
HETATM   26  H12 ORG A   1       1.579   0.712  -2.134
HETATM   27  C14 ORG A   1       0.339   2.443  -2.347
HETATM   28  C15 ORG A   1       2.421   2.357  -1.105
HETATM   29  C16 ORG A   1       1.436   3.052  -3.269
HETATM   30  C17 ORG A   1      -0.327   3.553  -1.512
HETATM   31  O2  ORG A   1      -0.107   0.661  -3.918
HETATM   32  H13 ORG A   1      -1.400   2.207  -3.613
HETATM   33  H14 ORG A   1       1.759   2.260  -3.947
HETATM   34  C18 ORG A   1       1.044   4.267  -4.135
HETATM   35  C19 ORG A   1       2.607   3.314  -2.292
HETATM   36  H15 ORG A   1       2.218   2.930  -0.196
HETATM   37  H16 ORG A   1       3.306   1.736  -0.953
HETATM   38  H17 ORG A   1       3.564   3.136  -2.787
HETATM   39  H18 ORG A   1       2.577   4.342  -1.925
HETATM   40  H19 ORG A   1       0.423   4.150  -0.995
HETATM   41  H20 ORG A   1      -0.902   4.211  -2.161
HETATM   42  H21 ORG A   1      -1.002   3.132  -0.765
HETATM   43  C20 ORG A   1       2.287   4.973  -4.703
HETATM   44  C21 ORG A   1       0.099   3.855  -5.267
HETATM   45  H22 ORG A   1       0.525   4.991  -3.504
HETATM   46  H23 ORG A   1       2.909   5.311  -3.874
HETATM   47  H24 ORG A   1       2.867   4.269  -5.301
HETATM   48  C22 ORG A   1       1.949   6.189  -5.561
HETATM   49  H25 ORG A   1       1.232   6.815  -5.022
HETATM   50  C23 ORG A   1       3.151   7.026  -5.894
HETATM   51  H26 ORG A   1       1.488   5.853  -6.495
HETATM   52  O3  ORG A   1       4.377   6.732  -5.357
HETATM   53  H27 ORG A   1      -0.161   4.716  -5.882
HETATM   54  H28 ORG A   1       0.574   3.103  -5.895
HETATM   55  H29 ORG A   1      -0.821   3.444  -4.860
HETATM   56  C24 ORG A   1      -1.207  -3.694  -0.490
HETATM   57  H30 ORG A   1       0.576  -2.515  -0.632
HETATM   58  H31 ORG A   1       0.474  -3.495   0.827
HETATM   59  H32 ORG A   1      -2.912  -3.428  -1.771
HETATM   60  H33 ORG A   1      -1.510  -2.454  -2.234
HETATM   61  O4  ORG A   1      -0.680  -4.789  -1.195
HETATM   62  H34 ORG A   1      -1.827  -4.104   0.308
HETATM   63  H35 ORG A   1      -3.300  -2.044   0.195
HETATM   64  H36 ORG A   1      -1.246  -2.049   1.751
HETATM   65  H37 ORG A   1      -0.172  -4.431  -1.928
HETATM   66  H38 ORG A   1       2.826  -1.220   0.217
HETATM   67  H39 ORG A   1      -0.809   0.295  -4.464
HETATM   68  N1  ORG A   1       2.995   8.131  -6.758
HETATM   69  C25 ORG A   1       4.038   9.094  -6.926
HETATM   70  H40 ORG A   1       2.146   8.228  -7.282
HETATM   71  H41 ORG A   1       4.888   8.611  -7.404
HETATM   72  C26 ORG A   1       3.576  10.286  -7.768
HETATM   73  H42 ORG A   1       4.344   9.440  -5.940
HETATM   74  S1  ORG A   1       4.738  11.566  -7.860
HETATM   75  H43 ORG A   1       3.347   9.928  -8.779
HETATM   76  H44 ORG A   1       2.647  10.677  -7.335
HETATM   77  O5  ORG A   1       6.081  11.013  -8.514
HETATM   78  O6  ORG A   1       4.147  12.743  -8.755
HETATM   79  O7  ORG A   1       5.037  12.107  -6.392
HETATM   80  C27 ORG A   1      -4.441   3.587  -0.949
HETATM   81  H45 ORG A   1      -4.462   4.443  -0.268
HETATM   82  C28 ORG A   1      -4.726   4.063  -2.377
HETATM   83  H46 ORG A   1      -3.441   3.145  -0.909
HETATM   84  C29 ORG A   1      -5.459   2.554  -0.480
HETATM   85  C30 ORG A   1      -3.612   4.976  -2.894
HETATM   86  C31 ORG A   1      -4.853   2.873  -3.359
HETATM   87  H47 ORG A   1      -5.666   4.621  -2.363
HETATM   88  C32 ORG A   1      -5.070   3.370  -4.801
HETATM   89  H48 ORG A   1      -3.887   2.349  -3.352
HETATM   90  C33 ORG A   1      -5.532   1.380  -1.460
HETATM   91  H49 ORG A   1      -5.165   2.188   0.510
HETATM   92  H50 ORG A   1      -6.442   3.023  -0.389
HETATM   93  C34 ORG A   1      -5.921   1.845  -2.889
HETATM   94  H51 ORG A   1      -4.522   0.955  -1.523
HETATM   95  C35 ORG A   1      -6.444   0.264  -0.938
HETATM   96  C36 ORG A   1      -5.891   0.604  -3.810
HETATM   97  C37 ORG A   1      -7.328   2.472  -2.922
HETATM   98  C38 ORG A   1      -6.438  -0.945  -1.877
HETATM   99  H52 ORG A   1      -7.465   0.635  -0.837
HETATM  100  H53 ORG A   1      -6.217   0.883  -4.816
HETATM  101  H54 ORG A   1      -4.861   0.233  -3.877
HETATM  102  C39 ORG A   1      -6.784  -0.529  -3.308
HETATM  103  H55 ORG A   1      -5.429  -1.381  -1.884
HETATM  104  H56 ORG A   1      -6.674  -1.396  -3.965
HETATM  105  H57 ORG A   1      -7.828  -0.216  -3.339
HETATM  106  O8  ORG A   1      -7.341  -1.928  -1.440
HETATM  107  H58 ORG A   1      -6.098  -0.052   0.054
HETATM  108  H59 ORG A   1      -7.607   2.722  -3.948
HETATM  109  H60 ORG A   1      -8.070   1.776  -2.529
HETATM  110  H61 ORG A   1      -7.363   3.383  -2.321
HETATM  111  C40 ORG A   1      -4.015   4.382  -5.260
HETATM  112  H62 ORG A   1      -5.043   2.517  -5.487
HETATM  113  H63 ORG A   1      -6.055   3.834  -4.880
HETATM  114  H64 ORG A   1      -2.716   4.348  -3.000
HETATM  115  C41 ORG A   1      -3.914   5.572  -4.290
HETATM  116  C42 ORG A   1      -3.198   6.186  -2.064
HETATM  117  C43 ORG A   1      -2.669   6.498  -4.478
HETATM  118  C44 ORG A   1      -5.214   6.398  -4.292
HETATM  119  H65 ORG A   1      -3.044   3.876  -5.316
HETATM  120  H66 ORG A   1      -4.274   4.729  -6.263
HETATM  121  H67 ORG A   1      -1.823   5.842  -4.715
HETATM  122  C45 ORG A   1      -2.730   7.582  -5.578
HETATM  123  C46 ORG A   1      -2.424   7.063  -3.055
HETATM  124  H68 ORG A   1      -4.083   6.720  -1.706
HETATM  125  H69 ORG A   1      -2.576   5.901  -1.209
HETATM  126  H70 ORG A   1      -1.355   7.027  -2.819
HETATM  127  H71 ORG A   1      -2.781   8.093  -2.976
HETATM  128  H72 ORG A   1      -5.139   7.234  -3.594
HETATM  129  H73 ORG A   1      -5.412   6.799  -5.287
HETATM  130  H74 ORG A   1      -6.067   5.782  -4.001
HETATM  131  C47 ORG A   1      -1.390   8.305  -5.818
HETATM  132  C48 ORG A   1      -3.174   7.014  -6.930
HETATM  133  H75 ORG A   1      -3.466   8.333  -5.277
HETATM  134  H76 ORG A   1      -0.644   7.569  -6.129
HETATM  135  H77 ORG A   1      -1.535   9.001  -6.649
HETATM  136  C49 ORG A   1      -0.832   9.107  -4.644
HETATM  137  H78 ORG A   1      -0.518   8.417  -3.864
HETATM  138  C50 ORG A   1       0.367   9.963  -5.047
HETATM  139  H79 ORG A   1      -1.613   9.759  -4.247
HETATM  140  H80 ORG A   1       1.116   9.330  -5.521
HETATM  141  H81 ORG A   1       0.033  10.704  -5.778
HETATM  142  C51 ORG A   1       1.021  10.691  -3.865
HETATM  143  C52 ORG A   1       1.681   9.715  -2.888
HETATM  144  C53 ORG A   1       2.044  11.715  -4.359
HETATM  145  H82 ORG A   1       0.241  11.235  -3.328
HETATM  146  H83 ORG A   1       2.860  11.213  -4.871
HETATM  147  H84 ORG A   1       1.572  12.417  -5.047
HETATM  148  H85 ORG A   1       2.450  12.273  -3.515
HETATM  149  H86 ORG A   1       0.937   9.038  -2.464
HETATM  150  H87 ORG A   1       2.441   9.129  -3.403
HETATM  151  H88 ORG A   1       2.151  10.267  -2.074
HETATM  152  H89 ORG A   1      -3.149   7.798  -7.689
HETATM  153  H90 ORG A   1      -2.505   6.208  -7.237
HETATM  154  H91 ORG A   1      -4.193   6.633  -6.876
HETATM  155  H92 ORG A   1      -6.999  -2.260  -0.603
CONECT    1    2    3    4    5
CONECT    2    1
CONECT    3    1    6    7    8
CONECT    4    1   66
CONECT    5    1   11   12   13
CONECT    6    3   26   27   28
CONECT    7    3    9   10   14
CONECT    8    3
CONECT    9    7   23   24   25
CONECT   10    7
CONECT   11    5   14   15   64
CONECT   12    5
CONECT   13    5
CONECT   14   11   16   17    7
CONECT   15   11   56   57   58
CONECT   16   14   18   19   63
CONECT   17   14   20   21   22
CONECT   18   16
CONECT   19   16   59   60   56
CONECT   20   17
CONECT   21   17
CONECT   22   17
CONECT   23    9   31   32   27
CONECT   24    9
CONECT   25    9
CONECT   26    6
CONECT   27    6   29   30   23
CONECT   28    6   35   36   37
CONECT   29   27   33   34   35
CONECT   30   27   40   41   42
CONECT   31   23   67
CONECT   32   23
CONECT   33   29
CONECT   34   29   43   44   45
CONECT   35   28   38   39   29
CONECT   36   28
CONECT   37   28
CONECT   38   35
CONECT   39   35
CONECT   40   30
CONECT   41   30
CONECT   42   30
CONECT   43   34   46   47   48
CONECT   44   34   53   54   55
CONECT   45   34
CONECT   46   43
CONECT   47   43
CONECT   48   43   49   50   51
CONECT   49   48
CONECT   50   48   52   68
CONECT   51   48
CONECT   52   50
CONECT   53   44
CONECT   54   44
CONECT   55   44
CONECT   56   15   61   62   19
CONECT   57   15
CONECT   58   15
CONECT   59   19
CONECT   60   19
CONECT   61   56   65
CONECT   62   56
CONECT   63   16
CONECT   64   11
CONECT   65   61
CONECT   66    4
CONECT   67   31
CONECT   68   50   69   70
CONECT   69   68   71   72   73
CONECT   70   68
CONECT   71   69
CONECT   72   69   74   75   76
CONECT   73   69
CONECT   74   72   77   78   79
CONECT   75   72
CONECT   76   72
CONECT   77   74
CONECT   78   74
CONECT   79   74
CONECT   80   81   82   83   84
CONECT   81   80
CONECT   82   80   85   86   87
CONECT   83   80
CONECT   84   80   90   91   92
CONECT   85   82  114  115  116
CONECT   86   82   88   89   93
CONECT   87   82
CONECT   88   86  111  112  113
CONECT   89   86
CONECT   90   84   93   94   95
CONECT   91   84
CONECT   92   84
CONECT   93   90   96   97   86
CONECT   94   90
CONECT   95   90   98   99  107
CONECT   96   93  100  101  102
CONECT   97   93  108  109  110
CONECT   98   95  102  103  106
CONECT   99   95
CONECT  100   96
CONECT  101   96
CONECT  102   98  104  105   96
CONECT  103   98
CONECT  104  102
CONECT  105  102
CONECT  106   98  155
CONECT  107   95
CONECT  108   97
CONECT  109   97
CONECT  110   97
CONECT  111   88  119  120  115
CONECT  112   88
CONECT  113   88
CONECT  114   85
CONECT  115   85  117  118  111
CONECT  116   85  123  124  125
CONECT  117  115  121  122  123
CONECT  118  115  128  129  130
CONECT  119  111
CONECT  120  111
CONECT  121  117
CONECT  122  117  131  132  133
CONECT  123  116  126  127  117
CONECT  124  116
CONECT  125  116
CONECT  126  123
CONECT  127  123
CONECT  128  118
CONECT  129  118
CONECT  130  118
CONECT  131  122  134  135  136
CONECT  132  122  152  153  154
CONECT  133  122
CONECT  134  131
CONECT  135  131
CONECT  136  131  137  138  139
CONECT  137  136
CONECT  138  136  140  141  142
CONECT  139  136
CONECT  140  138
CONECT  141  138
CONECT  142  138  143  144  145
CONECT  143  142  149  150  151
CONECT  144  142  146  147  148
CONECT  145  142
CONECT  146  144
CONECT  147  144
CONECT  148  144
CONECT  149  143
CONECT  150  143
CONECT  151  143
CONECT  152  132
CONECT  153  132
CONECT  154  132
CONECT  155  106
END  
