REMARK  Name = BDB053482
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.648   0.117   0.398  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1       -1.290   1.409   0.961  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -0.252   2.128   0.428  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.169   3.290   1.163  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.177   3.182   2.107  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        0.453   1.609  -0.639  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1        0.103   0.402  -1.130  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1       -1.874   2.007   1.976  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1       -0.953  -0.338  -0.617  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        0.801   4.493   1.033  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        1.816   4.679   0.127  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1        2.372   5.894   0.424  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1        3.146   6.361  -0.038  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1        1.787   6.509   1.463  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1        0.829   5.656   1.833  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1       -2.704  -0.576   0.960  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1       -3.113  -0.086   1.754  0.00  0.00    +0.154 HD
BRANCH  16  22
ATOM     18  C   LIG    1       -3.778  -4.932  -1.329  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1       -3.815  -3.796  -0.371  0.00  0.00    +0.049 A 
ATOM     20  N   LIG    1       -4.709  -3.825   0.616  0.00  0.00    -0.214 NA
ATOM     21  S   LIG    1       -4.549  -2.453   1.525  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1       -3.253  -1.769   0.623  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1       -2.965  -2.644  -0.406  0.00  0.00    +0.055 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
BRANCH   7  24
ATOM     24  S   LIG    1        1.039  -0.211  -2.484  0.00  0.00    -0.068 S 
BRANCH  24  25
ATOM     25  C   LIG    1        2.147  -1.284  -1.585  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        1.676  -2.428  -0.927  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        2.561  -3.260  -0.238  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        3.915  -2.951  -0.217  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1        4.765  -3.748   0.442  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.402  -1.827  -0.875  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        3.518  -0.994  -1.563  0.00  0.00    +0.018 A 
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 5