REMARK  Name = BDB001919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.075  -1.964  -0.401  0.00  0.00    +0.119 A 
ATOM      2  C   LIG    1       -1.313  -1.726  -0.472  0.00  0.00    +0.128 A 
ATOM      3  C   LIG    1       -1.531  -0.377  -0.237  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.750   0.211  -0.230  0.00  0.00    -0.225 NA
ATOM      5  C   LIG    1       -3.758  -0.636  -0.494  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -3.552  -2.014  -0.754  0.00  0.00    +0.090 A 
ATOM      7  C   LIG    1       -4.652  -2.820  -1.022  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -5.948  -2.304  -1.039  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -6.150  -0.956  -0.782  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -5.054  -0.135  -0.513  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1       -0.305   0.215   0.040  0.00  0.00    -0.279 N 
ATOM     12  N   LIG    1       -2.334  -2.574  -0.753  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1        0.702  -0.755  -0.113  0.00  0.00    +0.131 A 
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1       -0.121   1.573   0.452  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -0.925   2.589  -0.081  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -0.735   3.915   0.316  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        0.244   4.233   1.255  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        1.030   3.225   1.809  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        0.848   1.898   1.415  0.00  0.00    +0.026 A 
ENDBRANCH  11  14
BRANCH  13  20
ATOM     20  N   LIG    1        2.057  -0.412  -0.078  0.00  0.00    -0.264 N 
ATOM     21  H   LIG    1        2.302   0.568  -0.163  0.00  0.00    +0.157 HD
ATOM     22  C   LIG    1        3.054  -1.273   0.368  0.00  0.00    +0.285 C 
ATOM     23  O   LIG    1        2.814  -2.357   0.891  0.00  0.00    -0.266 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.398  -0.732   0.241  0.00  0.00    +0.191 A 
ATOM     25  O   LIG    1        5.413  -1.377   0.898  0.00  0.00    -0.444 OA
ATOM     26  C   LIG    1        6.564  -0.707   0.640  0.00  0.00    +0.171 A 
ATOM     27 BR   LIG    1        8.269  -1.201   1.322  0.00  0.00    -0.008 Br
ATOM     28  C   LIG    1        6.318   0.368  -0.179  0.00  0.00    +0.058 A 
ATOM     29  C   LIG    1        4.924   0.355  -0.440  0.00  0.00    +0.056 A 
ENDBRANCH  22  24
ENDBRANCH  13  20
BRANCH   1  31
ATOM     30  N   LIG    1        1.130  -4.229  -1.088  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1        0.673  -3.219  -0.741  0.00  0.00    +0.105 C 
ENDBRANCH   1  31
TORSDOF 4