REMARK  Name = BDB032277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.421   0.775  -0.934  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1       -0.860   1.312   0.165  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.356   0.852   0.542  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        1.056  -0.146  -0.125  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        0.467  -0.673  -1.273  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.782  -0.206  -1.682  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.662   1.295  -1.279  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1       -2.864   1.985  -0.556  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -3.757   0.351  -1.486  0.00  0.00    +0.106 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -7.953   0.223   1.511  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -6.793  -0.630   1.266  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -6.654  -0.920  -0.167  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -5.259  -1.443  -0.505  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -4.169  -0.395  -0.201  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -4.633   0.584   0.896  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -5.574  -0.096   1.888  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        2.405  -0.598   0.358  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.409   0.386  -0.021  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1        3.243   0.771  -0.954  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.770   0.056   0.130  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        5.743   0.595  -0.752  0.00  0.00    +0.070 A 
ATOM     22 CL   LIG    1        5.181   1.570  -2.088  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1        7.134   0.341  -0.595  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        7.538  -0.458   0.494  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        8.902  -0.713   0.654  0.00  0.00    +0.119 A 
ATOM     26  N   LIG    1        9.874  -0.250  -0.163  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        9.473   0.513  -1.196  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        6.585  -0.968   1.387  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        8.147   0.830  -1.449  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1        5.224  -0.704   1.212  0.00  0.00    +0.025 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6