REMARK  Name = BDB023145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.430   2.074   0.387  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        1.052   2.481   1.231  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.682   1.236  -0.448  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.174   0.655  -1.404  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.706   1.115  -0.044  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.485   0.206  -0.716  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.735   0.253  -0.185  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.785   1.189   0.834  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.005   1.364   1.496  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.120   0.608   1.117  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.045  -0.326   0.073  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -4.117   2.249   2.496  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.821  -0.521  -0.592  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.480   1.743   0.920  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.178  -1.089  -0.286  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.559  -0.736  -0.102  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -7.890  -1.861  -1.087  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -6.438  -1.714  -1.554  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        3.027   2.447   0.147  0.00  0.00    +0.075 S 
ATOM     20  O   LIG    1        3.179   2.975  -1.191  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.411   3.248   1.290  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1        5.025  -0.915  -0.907  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        4.345   0.308  -0.921  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        3.854   0.871   0.269  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1        4.047   0.217   1.502  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1        3.581   0.766   2.821  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1        4.749  -1.000   1.502  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.229  -1.559   0.315  0.00  0.00    +0.004 A 
BRANCH  22  30
ATOM     29  C   LIG    1        6.954  -1.012  -2.507  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        5.553  -1.510  -2.188  0.00  0.00    +0.032 C 
ENDBRANCH  22  30
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5