REMARK  Name = BDB035350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.816  -0.231  -0.192  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.032  -1.016  -0.968  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.305  -1.413  -0.613  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        1.840  -2.321  -1.594  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        3.053  -2.866  -1.465  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        3.885  -2.517  -0.277  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        3.333  -1.592   0.613  0.00  0.00    -0.309 N 
ATOM      8  O   LIG    1        4.980  -3.057  -0.148  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.841  -2.513  -2.683  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        2.051  -1.072   0.444  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1       -0.368  -1.708  -2.205  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1       -0.546   0.120   0.963  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -2.161   0.224  -0.832  0.00  0.00    +0.165 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -3.739  -1.267   0.341  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1       -3.187  -0.012   0.181  0.00  0.00    -0.302 N 
ATOM     16  H   LIG    1       -3.090   0.477   1.072  0.00  0.00    +0.150 HD
ATOM     17  O   LIG    1       -3.615  -2.173  -0.478  0.00  0.00    -0.274 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -5.976  -0.906   1.410  0.00  0.00    +0.033 C 
ATOM     19  C   LIG    1       -4.559  -1.410   1.636  0.00  0.00    +0.135 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.916  -0.624   2.716  0.00  0.00    -0.320 NA
ATOM     21  H   LIG    1       -2.991  -1.022   2.899  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -4.447  -0.757   3.577  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH  13  15
BRANCH  13  23
ATOM     23  C   LIG    1       -2.140   1.712  -1.311  0.00  0.00    -0.011 C 
ATOM     24  C   LIG    1       -1.071   1.914  -2.402  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -1.858   2.709  -0.170  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1       -3.512   2.064  -1.928  0.00  0.00    +0.013 C 
ENDBRANCH  13  23
ENDBRANCH   1  13
BRANCH   7  27
ATOM     27  C   LIG    1        4.119  -1.188   1.779  0.00  0.00    +0.163 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.502   0.273   1.761  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        5.520   0.729   0.914  0.00  0.00    +0.131 A 
ATOM     30  F   LIG    1        6.172  -0.136   0.126  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.880   2.070   0.869  0.00  0.00    +0.077 A 
ATOM     32  C   LIG    1        5.211   2.973   1.682  0.00  0.00    +0.126 A 
ATOM     33  F   LIG    1        5.548   4.269   1.646  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        4.195   2.554   2.534  0.00  0.00    +0.039 A 
ATOM     35  C   LIG    1        3.838   1.205   2.575  0.00  0.00    +0.011 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 7