REMARK  Name = BDB014850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.204   4.413  -1.040  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.957   3.436  -0.171  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.257   2.327   0.290  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.783   2.246   0.223  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.314   0.853   0.443  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.019   0.273   0.347  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.074  -1.033   0.634  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.367  -1.290   0.887  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.146  -0.182   0.814  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.608  -0.058   1.025  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.946   1.431   1.243  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.143   3.635   0.091  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.073   1.002   0.007  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.067   1.980  -0.206  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.436   0.648  -0.125  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.348   1.630  -0.546  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.711   1.345  -0.700  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.206   0.064  -0.435  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.304  -0.920  -0.019  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.940  -0.629   0.132  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.620  -0.224  -0.600  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.327  -1.185   0.095  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.615  -1.114  -0.349  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.730  -1.920   0.084  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.808  -0.169  -1.287  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.595   0.369  -1.438  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.756  -2.653   1.187  0.00  0.00    +0.152 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.602  -3.601   0.006  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.596  -3.298  -1.086  0.00  0.00    +0.392 C 
ATOM     30  F   LIG    1       -3.393  -2.098  -1.661  0.00  0.00    -0.171 F 
ATOM     31  F   LIG    1       -3.526  -4.234  -2.058  0.00  0.00    -0.171 F 
ATOM     32  F   LIG    1       -4.858  -3.316  -0.599  0.00  0.00    -0.171 F 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 6