REMARK  Name = BDB023267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.667  -0.861   1.032  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -1.766  -0.079   0.393  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.433  -1.518   1.143  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -0.312  -2.616   1.666  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.667  -0.760   0.574  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.901  -1.362   0.530  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.773  -0.486  -0.035  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.122   0.691  -0.363  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.878   1.706  -0.960  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.242   1.510  -1.202  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.880   0.310  -0.850  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.306   2.867  -1.308  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.129  -0.722  -0.261  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.770   0.513   0.032  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.255   0.128  -1.115  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        7.261   1.146  -1.236  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        8.293   0.024  -1.091  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        7.154  -0.775  -0.451  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.102  -1.638   1.360  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.302  -2.687   0.385  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.170  -1.875   2.785  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.226   0.363  -0.186  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -4.312  -0.388   0.988  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -5.361  -0.171   1.891  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1       -6.320   0.816   1.631  0.00  0.00    -0.048 A 
ATOM     26  C   LIG    1       -7.466   1.026   2.577  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -6.225   1.567   0.452  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -5.176   1.353  -0.445  0.00  0.00    +0.048 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -3.594  -0.391  -2.271  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -3.166   0.203  -1.040  0.00  0.00    -0.493 OA
ENDBRANCH  22  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5