REMARK  Name = BDB013901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.071   0.618   0.111  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1       -0.003  -0.024   0.977  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.308  -1.008   1.666  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.295   0.501   0.974  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.783   1.623   0.194  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.010   2.703  -0.292  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.644   3.722  -1.059  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -3.002   3.709  -1.347  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.763   2.666  -0.865  0.00  0.00    +0.020 A 
ATOM     10 BR   LIG    1       -5.617   2.606  -1.233  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        0.457   3.000  -0.073  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1       -3.168   1.650  -0.113  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        1.308   2.004   0.674  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        3.312  -0.091  -0.697  0.00  0.00    +0.230 C 
ATOM     15  N   LIG    1        2.278  -0.201   0.209  0.00  0.00    -0.303 N 
ATOM     16  H   LIG    1        2.251  -0.965   0.880  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        3.296   0.751  -1.591  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1        4.460  -1.098  -0.445  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1        5.310  -0.591   0.720  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1        4.627  -1.968  -2.714  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1        5.322  -1.285  -1.629  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1        6.144  -1.827  -1.369  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   4  23
ATOM     23  C   LIG    1       -2.239  -0.194   1.875  0.00  0.00    +0.148 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.039  -1.333   1.266  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.551  -2.136   0.225  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.321  -3.182  -0.290  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.583  -3.448   0.235  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.075  -2.674   1.282  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.306  -1.628   1.798  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5