REMARK  Name = BDB000669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.720  -0.356   0.470  0.00  0.00    -0.341 N 
ATOM      2  H   LIG    1        1.620   0.501  -0.070  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        3.071  -0.537   0.818  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        4.084  -0.320  -0.163  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        5.435  -0.516   0.216  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        6.444  -0.294  -0.709  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        6.157   0.104  -2.011  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        4.843   0.284  -2.415  0.00  0.00    +0.021 A 
ATOM      9 CL   LIG    1        7.438   0.366  -3.130  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1        5.796  -0.919   1.441  0.00  0.00    -0.255 NA
ATOM     11  C   LIG    1        4.819  -1.165   2.332  0.00  0.00    +0.113 A 
ATOM     12  C   LIG    1        3.814   0.070  -1.499  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.471  -1.002   2.070  0.00  0.00    +0.043 A 
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  C   LIG    1        0.613  -0.546   1.416  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        0.260  -2.031   1.524  0.00  0.00    +0.028 C 
BRANCH  14  16
ATOM     16  C   LIG    1       -0.602   0.294   0.965  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.214  -0.120  -0.382  0.00  0.00    +0.017 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.331   0.831  -0.842  0.00  0.00    +0.084 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.449   0.988   0.106  0.00  0.00    -0.303 NA
BRANCH  19  21
ATOM     20  C   LIG    1       -4.892  -0.918  -0.784  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -4.168  -0.265   0.390  0.00  0.00    +0.081 C 
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  C   LIG    1       -4.323   2.090  -0.333  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -5.403   2.466   0.677  0.00  0.00    +0.020 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 8