REMARK  Name = BDB033412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.691   2.174   0.231  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1        2.524   2.756   0.113  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.973   0.791  -0.011  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.360  -0.194   0.772  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        1.515  -1.559   0.517  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.739  -2.251   1.491  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1        0.154  -1.311   2.313  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1        2.329  -1.952  -0.565  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.952  -0.975  -1.352  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1        0.548  -0.074   1.879  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1        0.296   0.811   2.301  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1        2.771   0.380  -1.082  0.00  0.00    +0.026 A 
BRANCH   6  13
ATOM     13  C   LIG    1        0.578  -3.666   1.618  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1        0.445  -4.814   1.726  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        0.513   2.852  -0.825  0.00  0.00    +0.096 S 
ATOM     16  O   LIG    1        0.114   4.108  -0.220  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1        1.073   2.833  -2.162  0.00  0.00    -0.148 OA
BRANCH  15  23
ATOM     18  C   LIG    1       -4.273   0.260   0.365  0.00  0.00    +0.054 C 
ATOM     19  C   LIG    1       -2.987   0.683  -0.251  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.278   0.125  -1.298  0.00  0.00    +0.118 A 
ATOM     21 BR   LIG    1       -2.818  -1.430  -2.240  0.00  0.00    -0.028 Br
ATOM     22  N   LIG    1       -1.104   0.756  -1.640  0.00  0.00    -0.213 NA
ATOM     23  C   LIG    1       -0.925   1.795  -0.847  0.00  0.00    +0.237 A 
ATOM     24  S   LIG    1       -2.134   2.055   0.335  0.00  0.00    -0.051 S 
ENDBRANCH  15  23
ENDBRANCH   1  15
TORSDOF 4