REMARK  Name = BDB021054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.762   4.559  -2.951  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        5.137   3.717  -1.958  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        4.929   4.178  -1.087  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        4.185   2.812  -2.356  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        3.646   2.036  -1.342  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1        2.448   1.267  -1.694  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1        2.135   0.212  -0.694  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1        2.913  -0.029   0.409  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        2.349  -1.043   1.129  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1        1.231  -1.443   0.565  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1        4.110   0.724   0.705  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1        1.095  -0.690  -0.576  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1        4.018   2.110   0.076  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1        3.848   2.697  -3.531  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1       -0.026  -0.829  -1.488  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -1.368  -0.667  -1.045  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -2.419  -0.797  -1.978  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1       -3.745  -0.627  -1.555  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -4.013  -0.321  -0.223  0.00  0.00    +0.045 A 
ATOM     20  N   LIG    1       -3.031  -0.196   0.696  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1       -2.127  -1.096  -3.318  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -0.811  -1.267  -3.743  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.754  -0.373   0.272  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        0.234  -1.136  -2.833  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  C   LIG    1       -5.441  -0.159   0.251  0.00  0.00    +0.042 C 
ATOM     26  C   LIG    1       -5.907  -1.403   1.025  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1       -6.979  -1.063   2.053  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1       -7.793   0.003   1.574  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -7.089   1.246   1.527  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1       -5.629   1.099   1.104  0.00  0.00    +0.038 C 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1        2.910  -1.655   2.454  0.00  0.00    +0.066 C 
ATOM     32  C   LIG    1        2.189  -2.926   2.952  0.00  0.00    +0.086 C 
ATOM     33  C   LIG    1        3.291  -3.773   2.285  0.00  0.00    +0.250 C 
ATOM     34  F   LIG    1        2.998  -4.287   1.071  0.00  0.00    -0.206 F 
ATOM     35  F   LIG    1        3.767  -4.795   3.033  0.00  0.00    -0.206 F 
ATOM     36  C   LIG    1        4.179  -2.510   2.270  0.00  0.00    +0.086 C 
ENDBRANCH   9  31
TORSDOF 3