REMARK  Name = BDB061170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.286  -0.273  -0.011  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.540  -1.118  -0.870  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1       -0.181  -1.147  -0.691  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.282  -2.066  -1.587  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.717  -2.528  -2.307  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.477  -0.373   0.268  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.212   0.393   1.071  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1       -1.874  -1.928  -1.854  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1       -1.589   0.426   0.906  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  12
ATOM     10  O   LIG    1       -4.399   1.124   1.483  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.609   0.428   0.496  0.00  0.00    +0.250 C 
ATOM     12  N   LIG    1       -3.650  -0.265  -0.217  0.00  0.00    -0.277 N 
ATOM     13  H   LIG    1       -3.956  -0.904  -0.947  0.00  0.00    +0.155 HD
BRANCH  11  14
ATOM     14  C   LIG    1       -6.007   0.272   0.028  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -6.334   0.100  -1.311  0.00  0.00    +0.123 A 
ATOM     16  N   LIG    1       -7.603  -0.042  -1.767  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1       -8.590   0.011  -0.845  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -8.369   0.201   0.509  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -7.054   0.339   0.950  0.00  0.00    +0.016 A 
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1        1.846  -0.427   0.394  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.087  -0.018   1.296  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.674   0.211  -0.626  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.117  -0.089  -0.356  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.889   0.654   0.532  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.524   1.804   1.395  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        5.922   2.245   1.829  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        6.830   1.128   1.697  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        6.213   0.312   0.785  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        6.825  -0.768   0.183  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        6.072  -1.524  -0.715  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        4.738  -1.184  -0.973  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        4.040  -1.939  -1.834  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5