REMARK  Name = BDB022375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.781   1.077   0.232  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.302   1.203   0.173  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.316   2.420   0.483  0.00  0.00    +0.145 A 
ATOM      4  N   LIG    1        1.663   2.582   0.477  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1        2.425   1.522   0.121  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1        1.929   0.280  -0.247  0.00  0.00    +0.050 A 
ATOM      7  N   LIG    1       -0.476   3.549   0.792  0.00  0.00    -0.296 N 
ATOM      8  C   LIG    1        0.206   4.798   1.079  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -1.850   3.507   0.763  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -2.586   4.469   0.974  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.537   0.140  -0.211  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -2.476   2.197   0.479  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.345  -0.179   0.027  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1       -1.754  -0.945   0.336  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.180  -0.722   1.550  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -3.760  -0.537   0.093  0.00  0.00    +0.070 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.935  -1.751  -0.788  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -4.943  -2.846  -0.530  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -3.473  -3.131  -0.378  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        2.723  -0.832  -0.584  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        2.258  -1.462  -1.236  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.079  -1.129  -0.309  0.00  0.00    +0.053 A 
ATOM     23  C   LIG    1        4.864  -1.872  -1.213  0.00  0.00    +0.110 A 
ATOM     24  C   LIG    1        6.198  -2.092  -0.896  0.00  0.00    +0.148 A 
ATOM     25 CL   LIG    1        7.273  -2.982  -1.907  0.00  0.00    -0.061 Cl
ATOM     26  N   LIG    1        6.800  -1.641   0.227  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        6.035  -0.936   1.080  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        4.697  -0.658   0.857  0.00  0.00    +0.044 A 
BRANCH  23  29
ATOM     29  C   LIG    1        4.306  -2.386  -2.423  0.00  0.00    +0.104 C 
ATOM     30  N   LIG    1        3.788  -2.792  -3.379  0.00  0.00    -0.191 NA
ENDBRANCH  23  29
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6