REMARK  Name = BDB045486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.265  -1.125   1.128  0.00  0.00    +0.232 C 
ATOM      2  C   LIG    1       -1.727   0.223   1.572  0.00  0.00    +0.243 C 
ATOM      3  O   LIG    1       -2.933   0.488   1.545  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.767   1.119   1.995  0.00  0.00    -0.220 N 
ATOM      5  C   LIG    1        0.563   0.805   2.226  0.00  0.00    +0.318 C 
ATOM      6  O   LIG    1        1.358   1.640   2.665  0.00  0.00    -0.252 OA
ATOM      7  N   LIG    1        0.942  -0.511   2.008  0.00  0.00    -0.220 N 
ATOM      8  C   LIG    1        0.093  -1.518   1.599  0.00  0.00    +0.243 C 
ATOM      9  O   LIG    1        0.412  -2.711   1.598  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1       -0.860  -0.374  -1.104  0.00  0.00    -0.291 OA
ATOM     11  C   LIG    1       -1.353  -1.235  -0.375  0.00  0.00    +0.184 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.052  -2.395  -0.999  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -2.587  -2.224  -2.283  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -3.255  -3.274  -2.915  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.385  -4.503  -2.271  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.842  -4.685  -1.000  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.173  -3.635  -0.363  0.00  0.00    +0.011 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   4  18
ATOM     18  C   LIG    1       -1.194   2.491   2.264  0.00  0.00    +0.153 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.058   3.373   1.042  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        0.117   4.106   0.818  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.249   4.903  -0.320  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -0.788   4.972  -1.248  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.957   4.243  -1.041  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.091   3.446   0.097  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
BRANCH   7  25
ATOM     25  C   LIG    1        2.331  -0.870   2.286  0.00  0.00    +0.153 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.191  -0.776   1.044  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        3.367  -1.892   0.213  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.139  -1.797  -0.946  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.738  -0.587  -1.289  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.565   0.530  -0.474  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.794   0.438   0.685  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6