REMARK  Name = BDB001115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.648  -4.436  -0.082  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.352  -3.246  -0.093  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -1.054  -2.797  -0.222  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -2.245  -3.671  -0.337  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -3.385  -2.689  -0.030  0.00  0.00    +0.009 C 
ATOM      6  C   LIG    1       -2.836  -1.270  -0.263  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -1.372  -1.497  -0.189  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -0.389  -0.495  -0.051  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -0.361   0.904   0.105  0.00  0.00    +0.103 A 
ATOM     10  N   LIG    1        0.897   1.325   0.316  0.00  0.00    -0.164 NA
ATOM     11  N   LIG    1        1.693   0.229   0.144  0.00  0.00    -0.215 N 
ATOM     12  C   LIG    1        0.921  -0.915   0.024  0.00  0.00    +0.145 A 
ATOM     13  N   LIG    1        1.307  -2.250   0.022  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        2.258  -2.546   0.187  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1        3.108   0.389   0.103  0.00  0.00    +0.068 A 
ATOM     16  C   LIG    1        3.946  -0.579  -0.465  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        5.331  -0.384  -0.485  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        5.886   0.778   0.047  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.058   1.759   0.587  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.674   1.571   0.608  0.00  0.00    +0.028 A 
ENDBRANCH  11  15
BRANCH   9  21
ATOM     21  C   LIG    1       -1.464   1.855   0.108  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -1.707   2.645   1.239  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -2.766   3.554   1.248  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.583   3.685   0.125  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.338   2.913  -1.010  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.279   2.002  -1.021  0.00  0.00    +0.010 A 
ENDBRANCH   9  21
TORSDOF 2