REMARK  Name = BDB062514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.185   0.946  -1.974  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.081   0.874  -1.150  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1        0.046   0.008  -0.637  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.413   1.835  -2.785  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -2.515  -1.725   1.567  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -2.118  -0.782   0.684  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -2.434  -0.913  -0.709  0.00  0.00    +0.062 A 
ATOM      8  N   LIG    1       -3.268  -1.974  -1.081  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1       -3.574  -1.847  -2.427  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -2.818  -0.791  -2.915  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.646  -2.966  -0.171  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1       -2.084  -0.203  -1.850  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -3.279  -2.874   1.117  0.00  0.00    +0.064 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.483  -2.653  -3.224  0.00  0.00    +0.177 C 
ATOM     15  O   LIG    1       -4.249  -2.924  -4.402  0.00  0.00    -0.291 OA
ATOM     16  C   LIG    1       -5.767  -3.136  -2.598  0.00  0.00    +0.093 C 
ENDBRANCH   9  14
BRANCH   5  18
ATOM     17  C   LIG    1       -1.550  -0.670   3.486  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -2.289  -1.747   2.921  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        0.952   1.823  -0.992  0.00  0.00    +0.071 A 
ATOM     20  C   LIG    1        1.992   1.480  -0.112  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1        1.914   0.292   0.515  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        3.069   2.344   0.136  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.086   3.583  -0.517  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        2.054   3.931  -1.391  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1        2.098   5.460  -2.181  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        0.988   3.061  -1.631  0.00  0.00    +0.046 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.143   1.997   1.050  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        4.639   0.726   1.256  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        5.645   0.847   2.170  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        6.466  -0.212   2.705  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        5.850   2.113   2.574  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        4.940   2.811   1.889  0.00  0.00    +0.143 A 
ENDBRANCH  22  27
ENDBRANCH   2  19
TORSDOF 5