REMARK  Name = BDB001961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.619  -1.705   0.025  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -0.658  -0.899   0.330  0.00  0.00    +0.125 C 
ATOM      3  N   LIG    1       -1.740  -1.510  -0.430  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -1.447  -2.847  -0.668  0.00  0.00    +0.283 C 
ATOM      5  O   LIG    1       -2.179  -3.734  -1.056  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        0.020  -3.036  -0.293  0.00  0.00    +0.230 C 
ATOM      7  O   LIG    1        0.602  -4.105  -0.264  0.00  0.00    -0.286 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.521   0.602   0.195  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1       -0.721   1.259  -1.030  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -0.548   2.641  -1.152  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -0.169   3.382  -0.035  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        0.037   2.745   1.190  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -0.134   1.366   1.305  0.00  0.00    +0.006 A 
BRANCH  10  14
ATOM     14  O   LIG    1       -0.774   3.135  -2.407  0.00  0.00    -0.495 OA
ATOM     15  C   LIG    1       -0.564   4.528  -2.599  0.00  0.00    +0.277 C 
ENDBRANCH  10  14
ENDBRANCH   2   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.403  -1.180  -1.154  0.00  0.00    +0.176 C 
ATOM     17  O   LIG    1        0.989  -1.256  -2.308  0.00  0.00    -0.291 OA
BRANCH  16  21
ATOM     18  C   LIG    1        5.109   0.860  -0.458  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        4.821  -0.309   0.249  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        3.617  -0.990   0.028  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        2.695  -0.496  -0.898  0.00  0.00    +0.018 A 
ATOM     22  C   LIG    1        2.989   0.662  -1.623  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        4.189   1.339  -1.394  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        7.241   1.141   0.559  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        6.240   1.617  -0.332  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  16  21
ENDBRANCH   1  16
BRANCH   3  26
ATOM     26  C   LIG    1       -3.135  -1.093  -0.293  0.00  0.00    +0.140 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.663  -1.143   1.157  0.00  0.00    +0.136 C 
ATOM     28  O   LIG    1       -3.271  -2.375   1.795  0.00  0.00    -0.375 OA
ATOM     29  C   LIG    1       -4.416  -3.238   1.879  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1       -5.547  -2.566   1.131  0.00  0.00    +0.031 C 
ATOM     31  C   LIG    1       -5.181  -1.105   1.226  0.00  0.00    +0.035 C 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 7