REMARK  Name = BDB015444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.291   0.564   0.772  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.420   1.659   0.241  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -0.903   2.469   1.370  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -0.694   1.508   2.534  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1        0.214   0.436   2.058  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.903  -0.777   0.186  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.877  -1.389   1.068  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        1.479  -1.534   0.425  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.989  -0.240  -0.086  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        1.960   0.385  -1.010  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        3.356   0.493  -0.351  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1        5.583  -1.242  -1.595  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        4.333  -1.715  -0.861  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1       -1.460   1.518  -1.089  0.00  0.00    +0.080 S 
ATOM     15  O   LIG    1       -2.262   2.723  -1.191  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -0.694   1.100  -2.250  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -2.523   0.157  -0.649  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -3.653   0.324   0.152  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -4.451  -0.783   0.464  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -4.150  -2.041  -0.059  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.042  -2.203  -0.887  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.229  -1.108  -1.183  0.00  0.00    +0.032 A 
BRANCH  18  23
ATOM     23  O   LIG    1       -3.956   1.527   0.725  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -5.117   2.104   0.123  0.00  0.00    +0.277 C 
ENDBRANCH  18  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 5