REMARK  Name = BDB015764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.004   0.357  -1.109  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -0.621  -0.786  -0.799  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -1.667  -0.703   0.039  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.135   0.424   0.587  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.496   1.561   0.251  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.417   1.573  -0.612  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.054   2.805   0.839  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.235   3.784   1.272  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.714   4.957   1.838  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.757   5.960   2.274  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.075   5.200   2.012  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.555   6.219   2.500  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.984   4.115   1.562  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.486   2.998   1.019  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.073   0.234  -1.982  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        1.104  -0.757  -2.224  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.376   0.714  -1.504  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        3.352   0.685  -2.682  0.00  0.00    +0.028 C 
BRANCH  17  19
ATOM     19  C   LIG    1        2.898  -0.092  -0.296  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     20  C   LIG    1        3.627  -2.287   0.707  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        3.123  -1.587  -0.547  0.00  0.00    -0.002 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1       -2.327  -1.862   0.439  0.00  0.00    -0.422 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.819  -3.041  -0.059  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -2.295  -3.554  -1.273  0.00  0.00    +0.084 A 
ATOM     25 CL   LIG    1       -3.512  -2.739  -2.187  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1       -1.789  -4.758  -1.765  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -0.819  -5.453  -1.042  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -0.361  -4.953   0.179  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -0.866  -3.751   0.694  0.00  0.00    -0.007 A 
ATOM     30  C   LIG    1       -0.360  -3.223   2.005  0.00  0.00    +0.047 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7