REMARK  Name = BDB033792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.635   0.536   1.002  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.939  -0.253   1.554  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.757   1.253   0.597  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -2.927   0.755   1.026  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -4.051   1.401   0.646  0.00  0.00    +0.234 A 
ATOM      6  C   LIG    1       -4.052   2.553  -0.106  0.00  0.00    +0.097 A 
ATOM      7 BR   LIG    1       -5.605   3.490  -0.605  0.00  0.00    -0.043 Br
ATOM      8  C   LIG    1       -2.809   2.986  -0.491  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.661   2.359  -0.158  0.00  0.00    -0.221 NA
BRANCH   5  10
ATOM     10  O   LIG    1       -5.258   0.933   1.124  0.00  0.00    -0.470 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.353  -0.498   1.144  0.00  0.00    +0.203 C 
ATOM     12  C   LIG    1       -5.853  -1.062  -0.196  0.00  0.00    +0.155 C 
ATOM     13  C   LIG    1       -7.318  -0.641  -0.240  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1       -7.777  -0.635   1.218  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1       -6.520  -0.858   2.066  0.00  0.00    +0.047 C 
BRANCH  12  16
ATOM     16  O   LIG    1       -5.139  -0.585  -1.323  0.00  0.00    -0.388 OA
ATOM     17  H   LIG    1       -5.594  -0.911  -2.119  0.00  0.00    +0.210 HD
ENDBRANCH  12  16
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  21
ATOM     18  C   LIG    1        3.534   0.844   0.454  0.00  0.00    +0.105 A 
ATOM     19  C   LIG    1        2.990  -0.199   1.201  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        1.604  -0.277   1.365  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.741   0.680   0.801  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.318   1.726   0.070  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.704   1.817  -0.102  0.00  0.00    +0.030 A 
BRANCH  18  24
ATOM     24  S   LIG    1        5.289   0.967   0.255  0.00  0.00    +0.059 S 
ATOM     25  O   LIG    1        5.629   2.344  -0.025  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        5.928   0.217   1.313  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        5.514   0.132  -1.201  0.00  0.00    -0.180 NA
ATOM     28  H   LIG    1        5.640   0.826  -1.942  0.00  0.00    +0.149 HD
BRANCH  27  30
ATOM     29  C   LIG    1        7.888  -0.585  -1.385  0.00  0.00    +0.034 C 
ATOM     30  C   LIG    1        6.439  -1.060  -1.341  0.00  0.00    +0.084 C 
ATOM     31  C   LIG    1        6.196  -2.281  -0.423  0.00  0.00    +0.185 C 
ATOM     32  O   LIG    1        6.218  -3.185  -1.559  0.00  0.00    -0.376 OA
ATOM     33  C   LIG    1        6.091  -2.062  -2.466  0.00  0.00    +0.185 C 
ENDBRANCH  27  30
ENDBRANCH  24  27
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 8