REMARK  Name = BDB013134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.318  -0.234  -0.178  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -1.641  -1.427   0.208  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.304  -1.325   0.510  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.101  -2.593   0.810  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.917  -3.419   0.727  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.411  -0.121   0.470  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.208   0.969   0.102  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.018  -2.682   0.350  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.549   0.879  -0.215  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.872  -2.108  -2.323  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -4.397  -1.007  -1.475  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -3.708  -0.194  -0.535  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.672   0.654  -0.013  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -4.612   1.703   1.038  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1       -5.831   0.333  -0.675  0.00  0.00    -0.271 N 
ATOM     16  C   LIG    1       -7.135   0.931  -0.504  0.00  0.00    +0.172 C 
ATOM     17  N   LIG    1       -5.688  -0.664  -1.564  0.00  0.00    -0.176 NA
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1        1.748  -0.124   0.810  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        2.071  -0.856   1.433  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.476   1.123   0.987  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.944   0.830   1.091  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.704   0.442  -0.010  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.294   0.194  -1.414  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        5.676   0.108  -2.062  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.651  -0.240  -1.051  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.054   0.145   0.121  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.710   0.214   1.333  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.972   0.607   2.449  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.609   0.908   2.321  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.927   1.262   3.420  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4