REMARK  Name = BDB003611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.381   0.957   0.310  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        2.073   0.234   0.145  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.908   2.224   0.487  0.00  0.00    +0.284 C 
ATOM      4  O   LIG    1        1.261   3.244   0.699  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.644  -0.413   0.346  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1       -1.554  -1.269   0.128  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -0.236  -0.795   0.122  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        0.033   0.558   0.331  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -1.036   1.423   0.545  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -2.355   0.940   0.552  0.00  0.00    +0.025 A 
BRANCH   5  15
ATOM     11  C   LIG    1       -8.015  -0.746  -0.580  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -6.629  -0.453  -0.932  0.00  0.00    -0.302 NA
ATOM     13  C   LIG    1       -5.991   0.459   0.046  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1       -5.028  -0.227   1.040  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1       -3.941  -0.942   0.340  0.00  0.00    -0.327 N 
ATOM     16  C   LIG    1       -4.326  -1.504  -0.981  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -5.856  -1.707  -1.081  0.00  0.00    +0.103 C 
ENDBRANCH   5  15
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1        3.358   2.240   0.397  0.00  0.00    +0.190 A 
ATOM     19  O   LIG    1        4.033   1.070   0.162  0.00  0.00    -0.450 OA
ATOM     20  C   LIG    1        5.370   1.359   0.124  0.00  0.00    +0.136 A 
ATOM     21  C   LIG    1        5.550   2.712   0.334  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        4.263   3.276   0.509  0.00  0.00    +0.055 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.271   0.233  -0.119  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        7.658   0.436  -0.203  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        8.530  -0.633  -0.435  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        8.022  -1.920  -0.585  0.00  0.00    +0.018 A 
ATOM     27 BR   LIG    1        9.197  -3.366  -0.898  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1        6.651  -2.147  -0.505  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1        5.783  -1.074  -0.274  0.00  0.00    +0.012 A 
ENDBRANCH  20  23
ENDBRANCH   3  18
TORSDOF 4