REMARK  Name = BDB057631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.478   0.084  -0.902  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        2.718  -0.467  -0.551  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        3.850   0.350  -0.418  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        3.692   1.728  -0.645  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        4.785   2.579  -0.490  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        4.691   3.573  -0.654  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        6.024   2.163  -0.107  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1        6.214   0.699   0.145  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        7.611   0.368   0.597  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1        7.770  -1.271   1.359  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1        6.795  -2.184   0.145  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        5.357  -1.669   0.113  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1        6.946   2.965   0.012  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        2.462   2.277  -1.023  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.192  -0.169  -0.042  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        1.351   1.450  -1.163  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        0.431  -1.736  -1.875  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        0.320  -0.817  -1.068  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -0.829  -0.582  -0.323  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1       -0.894   0.202   0.910  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1       -2.235   0.957   1.060  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -3.421   0.274   0.504  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.184  -1.170   0.348  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -1.984  -1.443  -0.582  0.00  0.00    +0.123 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.626   0.578   1.286  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.913   0.178   0.596  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1       -6.212   0.659  -0.688  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -7.404   0.303  -1.320  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.313  -0.532  -0.674  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.031  -1.011   0.604  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.838  -0.657   1.238  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   1  18
TORSDOF 3