REMARK  Name = BDB015437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.697   0.869  -0.089  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.319   1.737   0.954  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -0.253   3.105   0.413  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -0.941   2.922  -0.934  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -1.002   1.467  -1.198  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.188  -1.750  -0.683  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.098  -1.530  -1.673  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -0.677  -1.343  -1.087  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.696  -0.484   0.113  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.573  -1.039   1.176  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.602  -2.064   0.635  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.346  -0.829   0.188  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.095  -0.591  -0.651  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        0.749   1.416   2.217  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        0.961   2.657   2.941  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.353   0.229   2.943  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.274   1.045   1.374  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        2.532  -0.267   0.968  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1        3.734  -0.581   0.330  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        4.674   0.428   0.104  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.424   1.735   0.537  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.229   2.046   1.182  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  O   LIG    1        3.858  -1.891  -0.038  0.00  0.00    -0.434 OA
BRANCH  23  24
ATOM     24  C   LIG    1        5.162  -2.335  -0.372  0.00  0.00    +0.541 C 
ATOM     25  F   LIG    1        5.106  -3.684  -0.509  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        5.505  -1.838  -1.586  0.00  0.00    -0.166 F 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 6