REMARK  Name = BDB031139
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.315   0.836  -0.417  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.062   1.263  -0.043  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -0.125   1.813  -1.020  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.864   2.627  -0.187  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.890   1.891   1.148  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.567   1.458   1.314  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.677   0.892  -1.600  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.520   0.672  -1.753  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1       -0.151  -0.009  -2.740  0.00  0.00    -0.346 N 
ATOM     10  H   LIG    1       -1.111   0.173  -3.014  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        0.669  -0.999  -3.194  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        1.843  -0.893  -2.468  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1        1.715   0.149  -1.564  0.00  0.00    -0.226 NA
BRANCH  12  14
ATOM     14  C   LIG    1        3.003  -1.793  -2.614  0.00  0.00    +0.266 C 
ATOM     15  N   LIG    1        4.198  -1.518  -1.933  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1        5.289  -2.474  -2.039  0.00  0.00    +0.132 C 
ATOM     17  O   LIG    1        2.905  -2.796  -3.326  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.509  -0.263  -1.252  0.00  0.00    +0.142 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.295  -0.273   0.250  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.738   0.835   0.996  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.545   0.889   2.378  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        3.906  -0.163   3.021  0.00  0.00    +0.123 A 
ATOM     23  F   LIG    1        3.701  -0.102   4.343  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        3.457  -1.267   2.310  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1        3.648  -1.321   0.927  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  12  14
ENDBRANCH   3   8
BRANCH   5  26
ATOM     26  O   LIG    1        1.328   2.756   2.183  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1        1.466   2.208   2.976  0.00  0.00    +0.210 HD
ENDBRANCH   5  26
BRANCH   1  28
ATOM     28  C   LIG    1       -3.253   0.246   0.666  0.00  0.00    +0.164 C 
BRANCH  28  31
ATOM     29  C   LIG    1       -6.186   2.645   0.504  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1       -4.904   2.043   1.012  0.00  0.00    +0.211 C 
ATOM     31  N   LIG    1       -4.566   0.849   0.414  0.00  0.00    -0.304 N 
ATOM     32  H   LIG    1       -4.946   0.693  -0.513  0.00  0.00    +0.149 HD
ATOM     33  O   LIG    1       -4.226   2.583   1.879  0.00  0.00    -0.276 OA
ENDBRANCH  28  31
BRANCH  28  34
ATOM     34  C   LIG    1       -3.311  -1.317   0.642  0.00  0.00    -0.011 C 
ATOM     35  C   LIG    1       -3.800  -1.881  -0.707  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1       -1.922  -1.917   0.937  0.00  0.00    +0.013 C 
ATOM     37  C   LIG    1       -4.275  -1.805   1.746  0.00  0.00    +0.013 C 
ENDBRANCH  28  34
ENDBRANCH   1  28
TORSDOF 8