REMARK  Name = BDB061230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.276   1.387   0.780  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -2.415   0.495   0.167  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1       -2.563  -0.678   0.859  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -1.798  -1.843   0.489  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.915  -1.721  -0.598  0.00  0.00    +0.058 A 
ATOM      6  N   LIG    1       -0.816  -0.456  -1.276  0.00  0.00    -0.284 N 
ATOM      7  C   LIG    1       -0.157  -2.842  -0.965  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -0.282  -4.047  -0.265  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.164  -4.152   0.807  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.923  -3.049   1.186  0.00  0.00    +0.013 A 
ATOM     11  N   LIG    1       -3.437  -0.521   1.827  0.00  0.00    -0.129 NA
ATOM     12  C   LIG    1       -1.548   0.686  -0.909  0.00  0.00    +0.337 A 
ATOM     13  O   LIG    1       -1.464   1.791  -1.428  0.00  0.00    -0.246 OA
ATOM     14  N   LIG    1       -3.884   0.774   1.778  0.00  0.00    -0.134 NA
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -4.501   3.536   1.195  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -3.461   2.806   0.357  0.00  0.00    +0.073 C 
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  C   LIG    1        0.060  -0.322  -2.449  0.00  0.00    +0.222 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.562  -0.189  -2.151  0.00  0.00    +0.237 C 
ATOM     19  N   LIG    1        1.855   0.180  -0.851  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        1.063   0.288  -0.232  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        2.377  -0.356  -3.055  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.122   0.397  -0.276  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.154   0.742   1.083  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        4.371   0.972   1.732  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        5.564   0.858   1.025  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        7.062   1.139   1.820  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        5.547   0.517  -0.324  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.327   0.287  -0.973  0.00  0.00    +0.025 A 
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 4