REMARK  Name = BDB062811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.758  -0.518  -0.042  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.898   0.755   0.303  0.00  0.00    -0.181 NA
ATOM      3  C   LIG    1        0.191   1.444   0.628  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        1.405   0.912   0.600  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        1.476  -0.361   0.231  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1        0.430  -1.106  -0.098  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.147   0.386  -1.734  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1       -3.210  -0.704  -0.647  0.00  0.00    +0.055 C 
ATOM      9  N   LIG    1       -1.867  -1.267  -0.366  0.00  0.00    -0.290 N 
ATOM     10  C   LIG    1       -1.736  -2.730  -0.386  0.00  0.00    +0.136 C 
ATOM     11  C   LIG    1       -2.986  -3.385   0.220  0.00  0.00    +0.179 C 
ATOM     12  O   LIG    1       -4.229  -2.989  -0.374  0.00  0.00    -0.376 OA
ATOM     13  C   LIG    1       -4.114  -1.843  -1.223  0.00  0.00    +0.185 C 
ATOM     14  C   LIG    1       -3.854  -0.154   0.637  0.00  0.00    +0.034 C 
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  N   LIG    1        0.062   2.754   1.040  0.00  0.00    -0.295 N 
ATOM     16  C   LIG    1       -1.193   3.475   0.813  0.00  0.00    +0.136 C 
ATOM     17  C   LIG    1       -0.909   4.811   0.107  0.00  0.00    +0.179 C 
ATOM     18  O   LIG    1       -0.015   5.674   0.827  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1        0.913   4.968   1.666  0.00  0.00    +0.179 C 
ATOM     20  C   LIG    1        1.274   3.569   1.145  0.00  0.00    +0.136 C 
ENDBRANCH   3  15
BRANCH   5  21
ATOM     21  C   LIG    1        2.809  -0.984   0.189  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.160  -2.099  -0.601  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        4.471  -2.609  -0.524  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        5.400  -2.007   0.305  0.00  0.00    +0.117 A 
ATOM     25  N   LIG    1        5.109  -0.935   1.047  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        3.840  -0.458   0.976  0.00  0.00    +0.125 A 
BRANCH  22  27
ATOM     27  C   LIG    1        2.189  -2.789  -1.527  0.00  0.00    +0.372 C 
ATOM     28  F   LIG    1        2.820  -3.531  -2.488  0.00  0.00    -0.204 F 
ATOM     29  F   LIG    1        1.385  -3.675  -0.875  0.00  0.00    -0.204 F 
ENDBRANCH  22  27
BRANCH  24  30
ATOM     30  N   LIG    1        6.707  -2.476   0.370  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        6.743  -3.465   0.589  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        7.191  -1.916   1.066  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH   5  21
TORSDOF 5