REMARK  Name = BDB033457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.170  -2.181   0.487  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1       -0.497  -3.146   0.578  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.168  -1.330  -0.086  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.326  -0.014   0.368  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -2.227   0.878  -0.220  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.107   2.112   0.481  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -1.161   1.946   1.470  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -3.008   0.428  -1.306  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.859  -0.885  -1.767  0.00  0.00    +0.003 A 
ATOM     10  N   LIG    1       -0.709   0.655   1.403  0.00  0.00    -0.358 N 
ATOM     11  H   LIG    1       -0.021   0.239   2.018  0.00  0.00    +0.165 HD
ATOM     12  C   LIG    1       -1.946  -1.751  -1.167  0.00  0.00    +0.026 A 
BRANCH   6  13
ATOM     13  C   LIG    1       -2.826   3.321   0.227  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1       -3.412   4.301   0.018  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        1.305  -2.262  -0.372  0.00  0.00    +0.080 S 
ATOM     16  O   LIG    1        2.193  -3.059   0.447  0.00  0.00    -0.149 OA
ATOM     17  O   LIG    1        1.025  -2.638  -1.740  0.00  0.00    -0.149 OA
BRANCH  15  20
ATOM     18  C   LIG    1        3.315  -0.489   1.828  0.00  0.00    +0.068 C 
ATOM     19  C   LIG    1        2.807   0.032   0.531  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1        2.024  -0.651  -0.387  0.00  0.00    +0.169 A 
ATOM     21  S   LIG    1        1.713   0.352  -1.743  0.00  0.00    -0.040 S 
ATOM     22  C   LIG    1        2.589   1.605  -0.994  0.00  0.00    +0.146 A 
ATOM     23 BR   LIG    1        2.796   3.326  -1.812  0.00  0.00    -0.021 Br
ATOM     24  N   LIG    1        3.110   1.339   0.181  0.00  0.00    -0.235 NA
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 4