REMARK  Name = BDB045056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.064  -1.055   1.351  0.00  0.00    +0.224 C 
ATOM      2  N   LIG    1        0.656  -2.163   0.775  0.00  0.00    -0.256 N 
ATOM      3  H   LIG    1        0.095  -2.991   0.590  0.00  0.00    +0.158 HD
ATOM      4  O   LIG    1        0.627   0.033   1.486  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.938  -2.279   0.320  0.00  0.00    +0.188 C 
ATOM      6  N   LIG    1        2.196  -3.407  -0.231  0.00  0.00    -0.270 NA
ATOM      7  H   LIG    1        3.179  -3.436  -0.502  0.00  0.00    +0.190 HD
BRANCH   5   8
ATOM      8  N   LIG    1        2.809  -1.253   0.481  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1        2.356  -0.418   0.863  0.00  0.00    +0.163 HD
BRANCH   8  10
ATOM     10  C   LIG    1        3.850  -0.940  -0.471  0.00  0.00    +0.151 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.535   0.343  -0.067  0.00  0.00    -0.027 A 
ATOM     12  C   LIG    1        4.095   1.575  -0.577  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        4.712   2.770  -0.188  0.00  0.00    +0.060 A 
ATOM     14 CL   LIG    1        4.115   4.241  -0.872  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        5.773   2.742   0.723  0.00  0.00    +0.059 A 
ATOM     16 CL   LIG    1        6.589   4.175   1.240  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        6.207   1.520   1.247  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        5.588   0.329   0.859  0.00  0.00    +0.007 A 
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   5   8
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -1.376  -1.267   1.784  0.00  0.00    +0.133 C 
BRANCH  19  24
ATOM     20  C   LIG    1       -3.507   1.122  -0.282  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -4.226   0.258  -1.130  0.00  0.00    +0.164 A 
ATOM     22  C   LIG    1       -4.000  -1.119  -1.061  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1       -3.075  -1.635  -0.136  0.00  0.00    +0.133 A 
ATOM     24  C   LIG    1       -2.368  -0.794   0.744  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1       -2.598   0.593   0.644  0.00  0.00    +0.055 A 
BRANCH  23  26
ATOM     26  N   LIG    1       -2.882  -3.086  -0.139  0.00  0.00    +0.057 N 
ATOM     27  O   LIG    1       -1.726  -3.510   0.007  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1       -3.885  -3.795  -0.301  0.00  0.00    -0.126 OA
ENDBRANCH  23  26
BRANCH  20  30
ATOM     29  C   LIG    1       -2.898   3.377   0.222  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -3.780   2.461  -0.413  0.00  0.00    -0.491 OA
ENDBRANCH  20  30
BRANCH  21  31
ATOM     31  O   LIG    1       -5.105   0.856  -1.996  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -5.950   0.017  -2.772  0.00  0.00    +0.277 C 
ENDBRANCH  21  31
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 9