REMARK  Name = BDB023152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.553   1.621  -0.064  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        1.170   2.384  -0.607  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.757   0.629   0.522  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.237  -0.323   1.118  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.663   0.826   0.302  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -1.514  -0.166   0.724  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -2.783   0.216   0.423  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.774   1.454  -0.196  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -4.007   2.001  -0.571  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -5.188   1.296  -0.321  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.168   0.037   0.299  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -4.066   3.198  -1.169  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.938  -0.519   0.693  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -1.411   1.844  -0.271  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -6.374  -0.653   0.555  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -7.619  -0.524  -0.149  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -8.045  -1.825   0.538  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -6.545  -2.068   0.737  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        3.169   1.817   0.259  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1        3.548   3.005  -0.478  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.337   1.748   1.692  0.00  0.00    -0.150 OA
BRANCH  19  30
ATOM     22  C   LIG    1        6.287   1.731   1.481  0.00  0.00    +0.149 C 
ATOM     23  N   LIG    1        6.331   0.540   0.659  0.00  0.00    -0.348 N 
ATOM     24  C   LIG    1        5.352   0.051  -0.196  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        5.928  -1.065  -0.831  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.200  -1.774  -1.806  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        3.917  -1.361  -2.150  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        3.344  -0.265  -1.515  0.00  0.00    +0.031 A 
ATOM     29  C   LIG    1        7.231  -1.253  -0.301  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        4.024   0.454  -0.508  0.00  0.00    +0.132 A 
ATOM     31  C   LIG    1        7.449  -0.259   0.615  0.00  0.00    +0.086 A 
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 4