REMARK  Name = BDB017093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.331  -0.078   2.027  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -1.221  -0.091   3.086  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -2.262   0.604   2.691  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -2.102   1.050   1.413  0.00  0.00    -0.332 N 
ATOM      5  C   LIG    1       -0.867   0.645   0.978  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        3.176  -1.143   1.169  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.951  -0.470   1.099  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        0.971  -0.746   2.046  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        1.165  -1.648   3.040  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        2.352  -2.285   3.093  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        3.377  -2.072   2.192  0.00  0.00    +0.031 A 
BRANCH   6  15
ATOM     12  C   LIG    1        5.733   0.566  -2.562  0.00  0.00    +0.199 C 
ATOM     13  N   LIG    1        5.338  -0.153  -1.381  0.00  0.00    -0.166 N 
ATOM     14  N   LIG    1        4.123  -0.010  -0.824  0.00  0.00    -0.131 NA
ATOM     15  C   LIG    1        4.226  -0.881   0.196  0.00  0.00    +0.205 A 
ATOM     16  N   LIG    1        5.448  -1.515   0.225  0.00  0.00    -0.108 NA
ATOM     17  N   LIG    1        6.150  -1.044  -0.796  0.00  0.00    -0.046 NA
ENDBRANCH   6  15
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  C   LIG    1       -3.059   1.857   0.667  0.00  0.00    +0.159 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.755   1.106  -0.449  0.00  0.00    -0.009 A 
ATOM     20  C   LIG    1       -4.243   1.785  -1.581  0.00  0.00    +0.046 A 
ATOM     21 CL   LIG    1       -4.058   3.494  -1.772  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -4.917   1.100  -2.599  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -5.131  -0.273  -2.498  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.681  -0.959  -1.376  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.009  -0.278  -0.358  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4