REMARK  Name = BDB014631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.303   3.762  -1.470  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        2.668   3.426  -0.347  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        1.798   3.278   0.709  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        2.123   2.676   1.464  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.356   3.362   0.514  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.207   2.059  -0.093  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.248   1.874  -1.445  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        0.818   2.637  -1.682  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.757   2.056  -0.070  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.435   0.741  -0.059  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -2.023  -0.112  -1.188  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -2.626  -1.504  -1.151  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -3.123  -2.045   0.047  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -3.624  -3.353   0.065  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.609  -4.129  -1.093  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.100  -3.603  -2.279  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.174  -1.196   1.290  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -2.608  -2.298  -2.307  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.248   0.025   1.210  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        4.094   3.034  -0.039  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.363   1.619  -0.541  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.494   0.605   0.130  0.00  0.00    +0.109 A 
ATOM     23  N   LIG    1        2.799  -0.348  -0.577  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        2.781  -0.444  -1.583  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.089  -1.111   0.314  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        2.381  -0.552   1.553  0.00  0.00    +0.090 A 
ATOM     27  C   LIG    1        1.792  -1.088   2.706  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        0.922  -2.172   2.556  0.00  0.00    +0.043 A 
ATOM     29  C   LIG    1        0.642  -2.717   1.301  0.00  0.00    +0.022 A 
ATOM     30 CL   LIG    1        0.150  -2.828   3.950  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        1.226  -2.194   0.142  0.00  0.00    +0.029 A 
ATOM     32  N   LIG    1        3.236   0.517   1.420  0.00  0.00    -0.232 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8