REMARK  Name = BDB007477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.684  -2.355  -1.116  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.196  -1.546  -0.382  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -1.501  -1.343  -0.831  0.00  0.00    +0.156 A 
ATOM      4  N   LIG    1       -1.938  -1.918  -1.972  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1       -1.086  -2.696  -2.671  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        0.222  -2.938  -2.294  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.375  -0.515  -0.100  0.00  0.00    -0.201 N 
ATOM      8  C   LIG    1       -3.735  -0.291  -0.330  0.00  0.00    +0.281 A 
ATOM      9  O   LIG    1       -4.467  -0.698  -1.216  0.00  0.00    -0.265 OA
ATOM     10  C   LIG    1       -4.197   0.614   0.781  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -3.091   0.822   1.514  0.00  0.00    +0.116 A 
ATOM     12  N   LIG    1       -1.977   0.143   1.078  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -1.177   0.765   0.940  0.00  0.00    +0.187 HD
BRANCH  10  14
ATOM     14  C   LIG    1       -5.525   1.192   0.970  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -5.981   1.581   2.230  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1       -7.196   2.130   2.483  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -8.016   2.291   1.425  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -7.676   1.933   0.133  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -6.416   1.378  -0.092  0.00  0.00    +0.012 A 
ENDBRANCH  10  14
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1        2.104  -2.539  -0.657  0.00  0.00    +0.139 C 
BRANCH  20  23
ATOM     21  O   LIG    1        2.671  -0.014   0.489  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1        3.174  -0.315  -0.589  0.00  0.00    +0.215 C 
ATOM     23  N   LIG    1        2.962  -1.520  -1.218  0.00  0.00    -0.311 N 
ATOM     24  H   LIG    1        3.295  -1.650  -2.164  0.00  0.00    +0.149 HD
BRANCH  22  25
ATOM     25  C   LIG    1        4.039   0.633  -1.388  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.651   1.708  -0.501  0.00  0.00    +0.152 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.684   1.177   0.372  0.00  0.00    -0.270 N 
ATOM     28  N   LIG    1        6.864   0.792  -0.157  0.00  0.00    -0.178 NA
ATOM     29  C   LIG    1        7.561   0.380   0.909  0.00  0.00    +0.154 A 
ATOM     30  C   LIG    1        6.828   0.496   2.103  0.00  0.00    +0.078 A 
ATOM     31 CL   LIG    1        7.352   0.076   3.653  0.00  0.00    -0.080 Cl
ATOM     32  C   LIG    1        5.615   1.016   1.725  0.00  0.00    +0.128 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 7