REMARK  Name = BDB050047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.417  -1.575  -0.339  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.553  -0.743   0.615  0.00  0.00    +0.004 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.721  -0.198  -0.038  0.00  0.00    +0.006 C 
BRANCH   3   4
ATOM      4  C   LIG    1        1.694  -1.290  -0.487  0.00  0.00    +0.059 C 
BRANCH   4   9
ATOM      5  C   LIG    1        5.031  -0.163  -0.956  0.00  0.00    +0.228 A 
ATOM      6  O   LIG    1        4.582   0.217  -2.195  0.00  0.00    -0.440 OA
ATOM      7  C   LIG    1        3.267  -0.151  -2.208  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.502   0.140  -3.431  0.00  0.00    +0.088 C 
ATOM      9  C   LIG    1        2.976  -0.727  -0.989  0.00  0.00    +0.083 A 
ATOM     10  N   LIG    1        4.106  -0.729  -0.202  0.00  0.00    -0.214 NA
BRANCH   5  15
ATOM     11  C   LIG    1       10.583   0.844   0.332  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        9.138   0.612   0.001  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        8.291  -0.011   0.923  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        6.952  -0.255   0.601  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.434   0.106  -0.650  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        7.293   0.717  -1.575  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        8.633   0.962  -1.255  0.00  0.00    +0.004 A 
ENDBRANCH   5  15
ENDBRANCH   4   9
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -2.736  -1.998   0.303  0.00  0.00    +0.263 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -3.522  -0.837   0.565  0.00  0.00    -0.394 OA
BRANCH  19  20
ATOM     20  N   LIG    1       -4.736  -1.240   1.137  0.00  0.00    -0.089 NA
ATOM     21  C   LIG    1       -5.510  -0.226   1.392  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.209   1.190   1.068  0.00  0.00    -0.001 A 
ATOM     23  C   LIG    1       -5.109   2.132   2.094  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.853   3.467   1.778  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.697   3.853   0.445  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.796   2.906  -0.577  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.053   1.571  -0.268  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -6.857  -0.512   2.035  0.00  0.00    +0.070 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -7.880  -0.890   0.973  0.00  0.00    +0.127 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -7.643  -2.262   0.407  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -7.479  -2.531  -0.771  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.694  -3.235   1.336  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -7.497  -4.050   0.829  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 13