REMARK  Name = BDB053114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.411   0.632  -0.503  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -1.250  -0.532  -0.286  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -1.894  -0.726  -1.634  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -1.448   0.259  -2.513  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.866   0.337  -3.828  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -2.772  -0.628  -4.270  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.227  -1.636  -3.399  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.787  -1.692  -2.071  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -0.508   1.124  -1.792  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        0.056   2.086  -2.275  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -2.260  -0.351   0.842  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -3.131   0.758   0.861  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.059   0.927   1.893  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.132  -0.011   2.919  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -5.273   0.198   4.188  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.286  -1.116   2.922  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.358  -1.285   1.890  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1       -0.401  -1.640  -0.067  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.447  -1.379  -0.463  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1        0.412   1.243   0.525  0.00  0.00    +0.146 C 
BRANCH  20  24
ATOM     21  C   LIG    1        4.242  -0.735   0.884  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        3.247  -0.943   1.842  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        2.013  -0.295   1.736  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        1.753   0.566   0.663  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.747   0.758  -0.307  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.980   0.110  -0.198  0.00  0.00    +0.015 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.941  -0.191   0.998  0.00  0.00    +0.090 C 
ATOM     28  S   LIG    1        5.796  -1.595   1.050  0.00  0.00    -0.129 S 
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5