REMARK  Name = BDB011301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.428  -0.644  -0.844  0.00  0.00    +0.054 A 
ATOM      2  N   LIG    1        1.617   0.187  -0.056  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1        0.329  -0.238  -0.219  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.028   0.122   0.282  0.00  0.00    +0.155 C 
ATOM      5  N   LIG    1       -1.799  -0.993  -0.344  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -1.022  -1.851  -1.132  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1       -1.375  -2.839  -1.753  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.314  -1.341  -1.027  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        1.612  -1.594  -1.457  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.561   1.472  -0.182  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -2.222   2.363   0.698  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -2.419   2.061   2.160  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -2.701   3.592   0.206  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -2.552   3.932  -1.136  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -3.150   5.440  -1.709  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -1.926   3.059  -2.014  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.439   1.839  -1.542  0.00  0.00    +0.007 A 
ENDBRANCH   4  10
BRANCH   1  19
ATOM     18  C   LIG    1        4.757  -0.889   0.072  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1        3.884  -0.526  -0.967  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        4.428  -0.059  -2.171  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        5.812   0.070  -2.322  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        6.665  -0.265  -1.272  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.139  -0.739  -0.070  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        4.212  -2.750   1.295  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.275  -1.323   1.282  0.00  0.00    -0.494 OA
ENDBRANCH  18  25
ENDBRANCH   1  19
BRANCH   5  26
ATOM     26  C   LIG    1       -3.215  -1.210  -0.061  0.00  0.00    +0.082 C 
ATOM     27  C   LIG    1       -4.077  -1.188  -1.323  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1       -5.554  -1.321  -0.959  0.00  0.00    +0.161 C 
ATOM     29  O   LIG    1       -5.769  -1.983   0.290  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -4.854  -3.053   0.501  0.00  0.00    +0.161 C 
ATOM     31  C   LIG    1       -3.456  -2.497   0.742  0.00  0.00    +0.050 C 
ENDBRANCH   5  26
BRANCH   2  32
ATOM     32  C   LIG    1        2.106   1.276   0.791  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1        1.720   2.658   0.269  0.00  0.00    +0.030 C 
ATOM     34  C   LIG    1        1.730   1.090   2.260  0.00  0.00    +0.030 C 
ENDBRANCH   2  32
TORSDOF 5