REMARK  Name = BDB006937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.677  -0.734   0.780  0.00  0.00    +0.011 C 
ATOM      2  C   LIG    1        3.264   0.713   0.593  0.00  0.00    -0.018 A 
ATOM      3  C   LIG    1        1.867   0.856   0.605  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.297   2.107   0.424  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        2.138   3.208   0.232  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        3.529   3.068   0.228  0.00  0.00    +0.020 A 
ATOM      7 CL   LIG    1        1.448   4.772   0.014  0.00  0.00    -0.083 Cl
ATOM      8  N   LIG    1        1.268  -0.392   0.869  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1       -0.054  -0.802   0.943  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1       -0.327  -1.918   1.403  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        4.101   1.811   0.413  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        2.328  -1.333   1.257  0.00  0.00    +0.125 C 
ATOM     13  C   LIG    1        4.744  -0.913   1.865  0.00  0.00    +0.018 C 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1        5.394  -0.951  -1.176  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        4.077  -1.406  -0.559  0.00  0.00    +0.009 C 
ENDBRANCH   1  15
BRANCH   9  16
ATOM     16  C   LIG    1       -1.144   0.147   0.426  0.00  0.00    +0.181 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.440  -0.528   0.201  0.00  0.00    -0.286 NA
ATOM     18  C   LIG    1       -3.592   0.409   0.144  0.00  0.00    +0.097 C 
ATOM     19  C   LIG    1       -4.938  -0.378  -0.002  0.00  0.00    +0.102 C 
ATOM     20  N   LIG    1       -4.796  -1.814  -0.319  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -4.370  -2.244   0.509  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -3.799  -1.957  -1.399  0.00  0.00    +0.065 C 
ATOM     23  C   LIG    1       -3.735  -3.418  -1.840  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -2.396  -1.441  -0.961  0.00  0.00    +0.103 C 
BRANCH  18  25
ATOM     25  C   LIG    1       -3.514   1.516  -0.948  0.00  0.00    +0.179 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -2.473   2.473  -0.711  0.00  0.00    -0.381 OA
ATOM     27  C   LIG    1       -2.857   3.502   0.192  0.00  0.00    +0.194 C 
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  17
ENDBRANCH   9  16
TORSDOF 5