REMARK  Name = BDB050515
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.369  -0.385   1.091  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        3.522   0.007   0.388  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        3.433   0.210  -0.998  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        2.217   0.058  -1.687  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        2.220   0.222  -3.186  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1        0.816   0.287  -3.765  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1       -0.067  -0.754  -3.090  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -0.197  -0.425  -1.664  0.00  0.00    -0.283 N 
ATOM      9  C   LIG    1        1.050  -0.303  -0.989  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        1.160  -0.541   0.395  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.435  -0.563  -1.109  0.00  0.00    +0.152 A 
ATOM     12  C   LIG    1       -2.003   0.361  -0.192  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -1.476   1.635   0.367  0.00  0.00    +0.148 C 
ATOM     14  N   LIG    1       -2.546   2.366   1.082  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -3.524   1.560   1.841  0.00  0.00    +0.114 C 
ATOM     16  C   LIG    1       -4.252   0.519   0.967  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -2.432   3.714   1.402  0.00  0.00    +0.213 C 
ATOM     18  O   LIG    1       -3.198   4.282   2.181  0.00  0.00    -0.276 OA
ATOM     19  C   LIG    1       -1.322   4.490   0.736  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -3.259  -0.135   0.081  0.00  0.00    +0.048 A 
ATOM     21  N   LIG    1       -3.401  -1.271  -0.659  0.00  0.00    -0.261 N 
ATOM     22  N   LIG    1       -2.315  -1.525  -1.415  0.00  0.00    -0.155 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.575  -2.130  -0.720  0.00  0.00    +0.135 C 
ATOM     24  C   LIG    1       -4.585  -3.143   0.420  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1       -4.287  -4.441  -0.123  0.00  0.00    -0.378 OA
ATOM     26  C   LIG    1       -3.966  -4.276  -1.510  0.00  0.00    +0.162 C 
ATOM     27  C   LIG    1       -4.673  -3.014  -1.951  0.00  0.00    +0.057 C 
ENDBRANCH  21  23
ENDBRANCH   8  11
BRANCH   2  28
ATOM     28  C   LIG    1        4.811   0.180   1.046  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        5.727   1.169   0.745  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        6.786   0.980   1.585  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        7.989   1.772   1.658  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        6.637  -0.070   2.410  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        5.431  -0.549   2.088  0.00  0.00    +0.143 A 
ENDBRANCH   2  28
BRANCH   1  35
ATOM     34  C   LIG    1        1.350  -0.982   3.177  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        2.499  -0.582   2.443  0.00  0.00    -0.494 OA
ENDBRANCH   1  35
TORSDOF 4