REMARK  Name = BDB033804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.469   0.159  -0.655  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1       -1.040   0.980  -0.827  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.149  -0.638   0.238  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1       -2.456  -0.379   0.355  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -3.163  -1.139   1.216  0.00  0.00    +0.234 A 
ATOM      6  C   LIG    1       -2.605  -2.144   1.975  0.00  0.00    +0.097 A 
ATOM      7 BR   LIG    1       -3.569  -3.215   3.186  0.00  0.00    -0.043 Br
ATOM      8  C   LIG    1       -1.258  -2.323   1.792  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.516  -1.584   0.941  0.00  0.00    -0.222 NA
BRANCH   5  10
ATOM     10  O   LIG    1       -4.518  -0.905   1.357  0.00  0.00    -0.470 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.073   0.116   0.510  0.00  0.00    +0.203 C 
ATOM     12  C   LIG    1       -6.378   0.591   1.189  0.00  0.00    +0.155 C 
ATOM     13  C   LIG    1       -7.372   1.247   0.223  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1       -6.690   1.761  -1.041  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1       -5.971   0.640  -1.796  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -5.389  -0.438  -0.880  0.00  0.00    +0.047 C 
BRANCH  12  17
ATOM     17  O   LIG    1       -6.052   1.532   2.221  0.00  0.00    -0.388 OA
ATOM     18  H   LIG    1       -5.439   1.077   2.826  0.00  0.00    +0.210 HD
ENDBRANCH  12  17
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  N   LIG    1        3.638  -0.071   0.466  0.00  0.00    -0.176 NA
ATOM     20  C   LIG    1        2.507   0.018   1.423  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1        1.413   0.895   0.827  0.00  0.00    +0.039 C 
ATOM     22  C   LIG    1        0.969   0.387  -0.551  0.00  0.00    +0.076 C 
ATOM     23  C   LIG    1        1.774  -0.816  -1.047  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1        3.269  -0.572  -0.889  0.00  0.00    +0.111 C 
BRANCH  19  25
ATOM     25  S   LIG    1        5.046  -0.763   1.140  0.00  0.00    +0.064 S 
ATOM     26  O   LIG    1        4.891  -2.201   1.138  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        5.388  -0.030   2.339  0.00  0.00    -0.153 OA
BRANCH  25  32
ATOM     28  C   LIG    1        8.634   1.413  -1.974  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        7.832   0.476  -1.224  0.00  0.00    -0.273 N 
ATOM     30  N   LIG    1        8.136  -0.837  -1.264  0.00  0.00    -0.178 NA
ATOM     31  C   LIG    1        7.236  -1.397  -0.449  0.00  0.00    +0.162 A 
ATOM     32  C   LIG    1        6.349  -0.450   0.078  0.00  0.00    +0.143 A 
ATOM     33  C   LIG    1        6.751   0.761  -0.444  0.00  0.00    +0.136 A 
ENDBRANCH  25  32
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 7