REMARK  Name = BDB031388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.883  -1.672   0.292  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.633  -2.751  -0.682  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.116  -3.021  -0.829  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.535  -3.410   0.431  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.069  -2.767   1.606  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.846  -1.460   1.318  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.237   0.793   0.092  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        4.165   1.227   0.805  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.096   0.388   0.836  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.004  -0.866   0.212  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.149  -1.247  -0.501  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.275  -0.423  -0.568  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        7.303   3.852   0.903  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        6.242   2.901   0.718  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        5.371   2.989   1.235  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        6.425   1.707   0.052  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.461   1.391  -0.523  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.999  -3.417   0.383  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.684  -2.077   0.241  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.023  -1.582  -1.024  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1       -2.740  -2.305  -2.121  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -3.650  -0.345  -1.172  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1       -3.961   0.424  -0.040  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1       -4.613   1.701  -0.274  0.00  0.00    +0.138 A 
ATOM     25  O   LIG    1       -4.954   2.550   0.764  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.714   3.587   0.091  0.00  0.00    +0.234 C 
ATOM     27  C   LIG    1       -5.519   3.459  -1.425  0.00  0.00    +0.085 C 
ATOM     28  C   LIG    1       -4.897   2.131  -1.496  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1       -4.585   1.345  -2.692  0.00  0.00    +0.256 A 
ATOM     30  O   LIG    1       -4.857   1.748  -3.816  0.00  0.00    -0.267 OA
ATOM     31  C   LIG    1       -3.645  -0.063   1.230  0.00  0.00    +0.014 A 
ATOM     32  N   LIG    1       -3.973   0.137  -2.459  0.00  0.00    -0.319 N 
ATOM     33  H   LIG    1       -3.744  -0.426  -3.269  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1       -3.015  -1.305   1.368  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4