REMARK  Name = BDB016778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.004   2.907   2.263  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -3.684   2.384   1.838  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -3.495   1.792   0.596  0.00  0.00    -0.343 N 
ATOM      4  H   LIG    1       -4.208   1.644  -0.107  0.00  0.00    +0.167 HD
ATOM      5  C   LIG    1       -2.192   1.440   0.559  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -1.250   0.769  -0.348  0.00  0.00    +0.161 C 
ATOM      7  N   LIG    1       -0.016   0.813   0.504  0.00  0.00    -0.253 N 
ATOM      8  C   LIG    1       -0.253   1.428   1.776  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        0.515   1.633   2.703  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -1.647   1.803   1.746  0.00  0.00    +0.149 A 
ATOM     11  N   LIG    1       -2.563   2.399   2.549  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.261   0.369   0.033  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        2.371   0.316   0.892  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1        3.594  -0.132   0.373  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        3.764  -0.524  -0.946  0.00  0.00    +0.116 A 
ATOM     16  N   LIG    1        5.066  -0.902  -1.147  0.00  0.00    -0.129 NA
ATOM     17  N   LIG    1        5.721  -0.759  -0.003  0.00  0.00    -0.065 NA
ATOM     18  C   LIG    1        2.673  -0.484  -1.828  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1        2.768  -0.890  -3.269  0.00  0.00    +0.046 C 
ATOM     20  N   LIG    1        4.842  -0.305   0.909  0.00  0.00    -0.247 N 
ATOM     21  C   LIG    1        5.281  -0.047   2.255  0.00  0.00    +0.175 C 
ATOM     22  C   LIG    1        1.436  -0.030  -1.307  0.00  0.00    +0.029 A 
ENDBRANCH   7  12
BRANCH   6  23
ATOM     23  C   LIG    1       -1.728  -0.624  -0.718  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1       -1.648  -1.703   0.180  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -2.114  -2.970  -0.182  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -2.672  -3.169  -1.441  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -3.248  -4.727  -1.886  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -2.772  -2.111  -2.342  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -2.306  -0.844  -1.981  0.00  0.00    +0.007 A 
ENDBRANCH   6  23
TORSDOF 2