REMARK  Name = BDB016777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.438  -0.096   0.049  0.00  0.00    +0.101 C 
ATOM      2  C   LIG    1        0.372   1.457   0.079  0.00  0.00    +0.108 C 
ATOM      3  N   LIG    1        0.018   1.347   1.512  0.00  0.00    -0.294 NA
ATOM      4  C   LIG    1       -0.521  -0.007   1.269  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1   7
ATOM      5  O   LIG    1        2.523  -0.718  -1.807  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.728  -0.873  -0.608  0.00  0.00    +0.266 C 
ATOM      7  N   LIG    1        1.774  -0.655   0.361  0.00  0.00    -0.305 N 
ATOM      8  H   LIG    1        2.091  -0.696   1.326  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1        4.012  -1.300  -0.076  0.00  0.00    +0.167 A 
ATOM     10  N   LIG    1        4.264  -1.464   1.269  0.00  0.00    -0.125 NA
ATOM     11  N   LIG    1        5.524  -1.862   1.407  0.00  0.00    -0.065 NA
ATOM     12  N   LIG    1        6.054  -1.931   0.178  0.00  0.00    -0.248 N 
ATOM     13  C   LIG    1        5.156  -1.604  -0.786  0.00  0.00    +0.143 A 
BRANCH  12  14
ATOM     14  C   LIG    1        7.438  -2.369  -0.080  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        8.428  -1.518  -0.841  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1        8.618  -1.747   0.629  0.00  0.00    +0.029 C 
ENDBRANCH  12  14
ENDBRANCH   6   9
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1       -0.945   2.336   2.001  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.214   2.495   1.231  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.415   1.831   1.398  0.00  0.00    +0.113 A 
ATOM     20  N   LIG    1       -4.273   2.331   0.459  0.00  0.00    -0.267 N 
ATOM     21  N   LIG    1       -3.734   3.328  -0.271  0.00  0.00    -0.179 NA
ATOM     22  C   LIG    1       -2.490   3.427   0.202  0.00  0.00    +0.139 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.650   1.917   0.228  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.720   0.569  -0.450  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1       -6.254  -0.542   0.220  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -6.313  -1.788  -0.411  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.839  -1.929  -1.713  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -5.910  -3.465  -2.486  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -5.307  -0.836  -2.393  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.249   0.409  -1.764  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7