REMARK  Name = BDB061703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.823   0.089  -1.355  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -2.590  -0.443  -0.386  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -2.038  -1.380   0.415  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -0.724  -1.823   0.303  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        0.069  -1.259  -0.700  0.00  0.00    +0.076 A 
ATOM      6  N   LIG    1        1.353  -1.620  -0.882  0.00  0.00    -0.249 NA
ATOM      7  C   LIG    1        1.899  -2.572  -0.075  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        1.166  -3.168   0.950  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.159  -2.793   1.140  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.495  -0.298  -1.521  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -2.330   1.085  -2.221  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1       -2.071   0.883  -3.184  0.00  0.00    +0.154 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -5.446   2.723  -1.003  0.00  0.00    +0.217 A 
ATOM     14  N   LIG    1       -5.992   3.222  -2.132  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -5.308   2.997  -3.275  0.00  0.00    +0.154 A 
ATOM     16  C   LIG    1       -4.118   2.292  -3.330  0.00  0.00    +0.163 A 
ATOM     17  F   LIG    1       -3.494   2.117  -4.505  0.00  0.00    -0.202 F 
ATOM     18  C   LIG    1       -3.575   1.755  -2.160  0.00  0.00    +0.075 A 
ATOM     19  C   LIG    1       -4.256   2.005  -0.968  0.00  0.00    +0.093 A 
BRANCH  13  20
ATOM     20  O   LIG    1       -6.068   2.919   0.214  0.00  0.00    -0.474 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -8.462   2.725  -0.133  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -7.294   3.660   0.169  0.00  0.00    +0.169 C 
ATOM     23  C   LIG    1       -7.473   4.289   1.550  0.00  0.00    +0.051 C 
ENDBRANCH  20  22
ENDBRANCH  13  20
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   7  24
ATOM     24  C   LIG    1        3.380  -2.935  -0.287  0.00  0.00    +0.108 C 
ATOM     25  C   LIG    1        3.753  -2.799  -1.775  0.00  0.00    +0.048 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.282  -2.090   0.665  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1        4.302  -0.584   0.361  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1        5.068   0.195   1.442  0.00  0.00    +0.084 C 
ATOM     29  N   LIG    1        6.148  -0.576   2.074  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1        7.142   0.310   2.673  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        6.753  -1.523   1.143  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1        5.739  -2.609   0.757  0.00  0.00    +0.022 C 
ENDBRANCH  24  26
BRANCH  24  33
ATOM     33  O   LIG    1        3.543  -4.328   0.055  0.00  0.00    -0.382 OA
ATOM     34  H   LIG    1        4.398  -4.623  -0.297  0.00  0.00    +0.211 HD
ENDBRANCH  24  33
ENDBRANCH   7  24
TORSDOF 7