REMARK  Name = BDB045569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.223   0.350  -0.397  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.920  -0.175  -0.465  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.708  -1.333  -1.209  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.364  -1.580  -1.081  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1        0.132  -2.341  -1.517  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.195  -0.618  -0.273  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -2.720  -2.007  -1.897  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.008  -1.470  -1.817  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.739   0.231   0.114  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.262  -0.310  -1.081  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.616  -0.548   0.091  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        2.075   0.563   0.819  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        3.420   0.687   1.197  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1        4.322  -0.318   0.830  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.884  -1.428   0.110  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        2.539  -1.544  -0.255  0.00  0.00    +0.011 A 
BRANCH  13  17
ATOM     17  C   LIG    1        3.897   1.891   1.963  0.00  0.00    +0.191 C 
BRANCH  17  18
ATOM     18  O   LIG    1        4.729   2.696   1.139  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        4.373   2.637   0.235  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   6  11
BRANCH   1  23
ATOM     20  N   LIG    1       -4.631   1.580   1.130  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -4.733   2.369   1.755  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.074   0.712   1.397  0.00  0.00    +0.145 HD
ATOM     23  C   LIG    1       -3.496   1.587   0.361  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -2.775   2.573   0.316  0.00  0.00    -0.270 OA
ENDBRANCH   1  23
TORSDOF 4