REMARK  Name = BDB027512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.150   0.308  -1.844  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.959   0.401  -1.128  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.285   0.358  -1.902  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.565   0.390  -1.032  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1        1.337  -0.442   0.239  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        0.126   0.044   1.046  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.841   0.904   0.236  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1       -2.197   0.235  -3.070  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -5.902   0.177   0.225  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -5.673   1.112  -0.795  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -4.445   1.161  -1.461  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.432   0.270  -1.108  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -3.665  -0.701  -0.131  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.897  -0.744   0.533  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -7.690  -0.412   1.929  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1       -7.173   0.196   0.825  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1       -7.898   0.689   0.314  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -8.910  -0.486   2.075  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -5.903  -0.183   3.609  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -6.819  -0.946   2.997  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1        2.691  -0.124  -1.802  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        2.644  -1.099  -2.075  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.961   0.103  -1.307  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        4.866  -0.841  -1.598  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1        6.120  -0.672  -1.157  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        6.502   0.442  -0.406  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        7.827   0.600   0.047  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        8.778  -0.370  -0.256  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        8.401  -1.481  -1.004  0.00  0.00    +0.043 A 
ATOM     30 CL   LIG    1        9.569  -2.687  -1.383  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.489   1.350  -0.154  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        7.086  -1.627  -1.447  0.00  0.00    +0.048 A 
ATOM     33  N   LIG    1        4.224   1.199  -0.585  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5