REMARK  Name = BDB042513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.838  -0.055  -0.000  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -2.777   0.340   0.944  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.383   0.034   0.366  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1       -1.151   0.686  -0.930  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        0.095   0.883  -1.504  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.234   1.457  -2.584  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -2.352   1.099  -1.665  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -3.543   0.147  -1.439  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -6.171  -0.852  -0.227  0.00  0.00    +0.147 A 
ATOM     10  C   LIG    1       -5.174  -0.075   0.405  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -5.609   0.685   1.507  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -6.946   0.696   1.932  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.899  -0.068   1.270  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1       -7.511  -0.850   0.190  0.00  0.00    +0.043 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -5.667  -2.483  -2.142  0.00  0.00    +0.135 C 
ATOM     16  N   LIG    1       -5.863  -1.726  -1.266  0.00  0.00    -0.348 NA
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  C   LIG    1        1.292   0.364  -0.724  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.588   0.496  -1.527  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.784   0.020  -0.741  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1        3.914  -1.337  -0.556  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        3.233  -1.974  -0.952  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        4.942  -1.952   0.130  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1        4.968  -3.171   0.249  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1        5.979  -1.058   0.697  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1        5.852   0.327   0.501  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1        6.823   1.190   1.026  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        7.908   0.677   1.740  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        8.027  -0.699   1.932  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        7.064  -1.561   1.411  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        7.220  -2.875   1.622  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        4.710   0.858  -0.248  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5