REMARK  Name = BDB017653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.053  -0.274  -2.158  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.285  -0.076  -1.476  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -1.854  -1.100  -0.705  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -3.101  -0.920  -0.100  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -3.814   0.278  -0.243  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -5.125   0.412   0.434  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -5.814   1.617   0.341  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.210   2.431   0.426  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -7.144   1.786   0.910  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -7.291   0.942   2.170  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -6.914  -0.518   1.894  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -5.619  -0.629   1.134  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -4.874  -1.912   1.245  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -5.327  -2.874   1.859  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.256   1.285  -1.042  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.650  -1.970   0.642  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.156  -2.846   0.733  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -2.007   1.111  -1.652  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  21
ATOM     19  C   LIG    1        1.611   1.594  -0.463  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1        1.496   0.094  -0.137  0.00  0.00    +0.071 C 
ATOM     21  N   LIG    1        1.099  -0.776  -1.267  0.00  0.00    -0.293 NA
ATOM     22  C   LIG    1        2.243  -1.368  -1.982  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        3.612  -0.670  -1.820  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1        3.940  -0.407  -0.409  0.00  0.00    -0.327 N 
ATOM     25  C   LIG    1        2.811  -0.401   0.538  0.00  0.00    +0.123 C 
BRANCH  24  26
ATOM     26  C   LIG    1        5.255  -0.338   0.019  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        5.619  -0.581   1.352  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1        6.949  -0.503   1.775  0.00  0.00    +0.142 A 
ATOM     29  F   LIG    1        7.227  -0.755   3.062  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1        7.965  -0.177   0.887  0.00  0.00    +0.087 A 
ATOM     31  C   LIG    1        7.636   0.074  -0.443  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        6.300  -0.006  -0.863  0.00  0.00    +0.024 A 
BRANCH  30  33
ATOM     33  C   LIG    1        9.321  -0.099   1.330  0.00  0.00    +0.102 C 
ATOM     34  N   LIG    1       10.433  -0.026   1.656  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  24  26
ENDBRANCH   1  21
TORSDOF 4