REMARK  Name = BDB017085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.477  -0.689  -0.871  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -0.541  -0.723   0.126  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.651  -0.378  -0.478  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.452  -0.143  -1.823  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.833  -0.334  -2.025  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.942  -0.277   0.191  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        1.975  -0.573   1.516  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.167  -0.480   2.139  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.339  -0.106   1.507  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.295   0.194   0.143  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.071   0.106  -0.524  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.500   0.592  -0.569  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        6.718   0.706  -0.007  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        7.436   1.087  -1.074  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        8.433   1.272  -1.018  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        6.764   1.211  -2.222  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        5.515   0.895  -1.912  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  19
ATOM     18  C   LIG    1       -3.102  -2.485  -0.370  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -2.900  -1.014  -0.761  0.00  0.00    +0.116 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.615  -0.002   0.129  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1       -4.113   1.212  -0.383  0.00  0.00    +0.046 A 
ATOM     22 CL   LIG    1       -3.979   1.636  -2.055  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -4.751   2.139   0.451  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.898   1.877   1.811  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.404   0.691   2.340  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.767  -0.237   1.511  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4