REMARK  Name = BDB030761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.866   0.829   1.135  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -2.247   0.766   0.882  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -2.967  -0.453   0.845  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -4.443  -0.487   0.601  0.00  0.00    +0.084 A 
ATOM      5  N   LIG    1       -5.107   0.737   0.671  0.00  0.00    -0.338 N 
ATOM      6  H   LIG    1       -4.642   1.446   1.228  0.00  0.00    +0.146 HD
ATOM      7  C   LIG    1       -6.086   1.270  -0.265  0.00  0.00    +0.071 C 
ATOM      8  C   LIG    1       -5.378   2.064  -1.359  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1       -6.996   0.200  -0.855  0.00  0.00    +0.063 C 
ATOM     10  C   LIG    1       -7.325  -0.852   0.187  0.00  0.00    +0.231 C 
ATOM     11  O   LIG    1       -6.384  -1.916   0.159  0.00  0.00    -0.485 OA
ATOM     12  C   LIG    1       -5.038  -1.688   0.390  0.00  0.00    +0.207 A 
ATOM     13  C   LIG    1       -4.234  -2.964   0.444  0.00  0.00    +0.295 A 
ATOM     14  N   LIG    1       -2.910  -2.891   0.845  0.00  0.00    -0.308 N 
ATOM     15  C   LIG    1       -2.167  -4.136   0.980  0.00  0.00    +0.152 C 
ATOM     16  O   LIG    1       -4.781  -4.034   0.163  0.00  0.00    -0.264 OA
ATOM     17  C   LIG    1       -2.251  -1.646   1.018  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -0.881  -1.587   1.321  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1       -0.207  -0.365   1.397  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  20
ATOM     20  N   LIG    1       -0.237   2.088   1.201  0.00  0.00    -0.298 N 
ATOM     21  H   LIG    1       -0.830   2.850   0.888  0.00  0.00    +0.154 HD
BRANCH  20  24
ATOM     22  C   LIG    1        3.307   1.817   0.441  0.00  0.00    +0.220 A 
ATOM     23  N   LIG    1        2.011   1.495   0.598  0.00  0.00    -0.198 NA
ATOM     24  C   LIG    1        1.129   2.429   1.012  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1        1.543   3.723   1.291  0.00  0.00    +0.099 A 
ATOM     26 CL   LIG    1        0.476   4.968   1.806  0.00  0.00    -0.078 Cl
ATOM     27  C   LIG    1        2.879   3.978   1.113  0.00  0.00    +0.137 A 
ATOM     28  N   LIG    1        3.765   3.054   0.693  0.00  0.00    -0.221 NA
BRANCH  22  32
ATOM     29  C   LIG    1        7.735   0.762  -1.421  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        6.467   0.225  -0.759  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        5.452   1.357  -0.534  0.00  0.00    +0.111 C 
ATOM     32  N   LIG    1        4.208   0.825   0.032  0.00  0.00    -0.299 N 
ATOM     33  C   LIG    1        3.572  -0.267  -0.713  0.00  0.00    +0.111 C 
ATOM     34  C   LIG    1        4.568  -1.414  -0.941  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1        3.934  -2.520  -1.783  0.00  0.00    +0.009 C 
ATOM     36  C   LIG    1        5.851  -0.897  -1.602  0.00  0.00    +0.009 C 
ENDBRANCH  22  32
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 3