REMARK  Name = BDB041280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.720   0.860   1.854  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.634   0.699   3.385  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1       -6.323   0.294  -1.387  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -5.491   1.381  -2.070  0.00  0.00    +0.271 A 
ATOM      5  O   LIG    1       -5.911   1.969  -3.055  0.00  0.00    -0.266 OA
ATOM      6  N   LIG    1       -4.269   1.637  -1.503  0.00  0.00    -0.319 N 
ATOM      7  H   LIG    1       -3.696   2.346  -1.939  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -3.824   0.940  -0.377  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -4.649  -0.043   0.186  0.00  0.00    +0.088 A 
ATOM     10  C   LIG    1       -4.189  -0.742   1.300  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -2.932  -0.465   1.850  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.111   0.534   1.302  0.00  0.00    -0.028 A 
ATOM     13  C   LIG    1       -2.571   1.227   0.167  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -5.918  -0.355  -0.333  0.00  0.00    -0.245 NA
BRANCH   3  16
ATOM     15  C   LIG    1       -8.707   1.002  -1.459  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -7.684   0.004  -1.970  0.00  0.00    +0.057 C 
ENDBRANCH   3  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  N   LIG    1        0.296   0.206   1.017  0.00  0.00    -0.289 NA
ATOM     18  C   LIG    1        1.688   0.481   1.396  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        2.017  -1.015   1.142  0.00  0.00    +0.201 C 
ATOM     20  C   LIG    1        0.485  -1.232   1.263  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        2.596  -1.372  -0.137  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.908  -1.067  -0.378  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.833  -0.619   0.553  0.00  0.00    +0.158 A 
ATOM     24  N   LIG    1        6.126  -0.330   0.264  0.00  0.00    -0.232 NA
ATOM     25  C   LIG    1        6.526  -0.504  -1.027  0.00  0.00    +0.156 A 
ATOM     26  C   LIG    1        5.667  -0.957  -2.026  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        4.344  -1.241  -1.688  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  N   LIG    1        7.877  -0.208  -1.353  0.00  0.00    -0.202 N 
ATOM     29  N   LIG    1        8.390  -0.342  -2.602  0.00  0.00    -0.059 NA
ATOM     30  N   LIG    1        9.668   0.013  -2.568  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1        9.972   0.374  -1.288  0.00  0.00    +0.156 A 
ATOM     32  C   LIG    1        8.858   0.244  -0.499  0.00  0.00    +0.138 A 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 6