REMARK  Name = BDB062513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.160   0.684  -2.050  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.085   0.590  -1.191  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1       -0.043  -0.237  -0.604  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.294   1.520  -2.935  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -2.783  -1.580   1.652  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -2.288  -0.746   0.710  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -2.589  -0.957  -0.677  0.00  0.00    +0.062 A 
ATOM      8  N   LIG    1       -3.506  -1.968  -0.989  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1       -3.776  -1.919  -2.347  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -2.921  -0.974  -2.894  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.985  -2.852  -0.016  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1       -2.158  -0.370  -1.859  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -3.635  -2.692   1.270  0.00  0.00    +0.064 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.739  -2.701  -3.103  0.00  0.00    +0.177 C 
ATOM     15  O   LIG    1       -4.514  -3.072  -4.256  0.00  0.00    -0.291 OA
ATOM     16  C   LIG    1       -6.068  -3.031  -2.470  0.00  0.00    +0.093 C 
ENDBRANCH   9  14
BRANCH   5  18
ATOM     17  C   LIG    1       -1.753  -0.476   3.509  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -2.584  -1.517   3.009  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        1.021   1.461  -1.083  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1        2.008   1.117  -0.141  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1        1.820  -0.008   0.574  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        3.153   1.903   0.063  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        3.291   3.065  -0.705  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        2.313   3.409  -1.635  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1        2.465   4.531  -2.352  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        1.182   2.623  -1.832  0.00  0.00    +0.064 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.157   1.529   1.049  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        5.472   1.952   1.053  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        6.064   1.370   2.137  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        7.438   1.509   2.557  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        5.231   0.593   2.847  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        4.076   0.684   2.183  0.00  0.00    +0.143 A 
ENDBRANCH  22  27
ENDBRANCH   2  19
TORSDOF 5