REMARK  Name = BDB030764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.708   1.350   2.189  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -5.003   0.165   1.522  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1       -4.154   0.684   0.456  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -3.629   1.511   0.722  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.548  -0.082  -0.542  0.00  0.00    +0.084 A 
ATOM      6  C   LIG    1       -2.077   0.105  -0.733  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -1.435  -0.446  -1.851  0.00  0.00    +0.054 A 
ATOM      8  N   LIG    1       -2.165  -1.279  -2.739  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1       -3.487  -1.619  -2.498  0.00  0.00    +0.295 A 
ATOM     10  O   LIG    1       -4.093  -2.443  -3.188  0.00  0.00    -0.264 OA
ATOM     11  C   LIG    1       -1.499  -1.891  -3.881  0.00  0.00    +0.152 C 
ATOM     12  C   LIG    1       -0.067  -0.196  -2.051  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        0.677   0.545  -1.130  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        0.092   1.025   0.036  0.00  0.00    +0.033 A 
ATOM     15  C   LIG    1       -1.286   0.812   0.206  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -4.211  -0.922  -1.374  0.00  0.00    +0.207 A 
ATOM     17  O   LIG    1       -5.565  -1.211  -1.347  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1       -6.433  -0.571  -0.420  0.00  0.00    +0.231 C 
ATOM     19  C   LIG    1       -6.020  -0.856   1.014  0.00  0.00    +0.063 C 
ENDROOT
BRANCH  14  20
ATOM     20  N   LIG    1        0.794   1.782   0.995  0.00  0.00    -0.298 N 
ATOM     21  H   LIG    1        0.251   1.978   1.829  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.180   1.797   1.303  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        2.664   2.763   2.174  0.00  0.00    +0.099 A 
ATOM     24 CL   LIG    1        1.662   3.922   2.952  0.00  0.00    -0.078 Cl
ATOM     25  C   LIG    1        4.016   2.739   2.408  0.00  0.00    +0.137 A 
ATOM     26  N   LIG    1        4.854   1.847   1.847  0.00  0.00    -0.221 NA
ATOM     27  C   LIG    1        4.326   0.935   1.014  0.00  0.00    +0.220 A 
ATOM     28  N   LIG    1        3.013   0.902   0.730  0.00  0.00    -0.198 NA
BRANCH  27  29
ATOM     29  N   LIG    1        5.172   0.015   0.394  0.00  0.00    -0.295 N 
ATOM     30  C   LIG    1        4.501  -1.233  -0.006  0.00  0.00    +0.136 C 
ATOM     31  C   LIG    1        5.485  -2.146  -0.755  0.00  0.00    +0.179 C 
ATOM     32  O   LIG    1        6.669  -2.393   0.018  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1        7.341  -1.154   0.293  0.00  0.00    +0.179 C 
ATOM     34  C   LIG    1        6.449  -0.195   1.096  0.00  0.00    +0.136 C 
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH  14  20
TORSDOF 3