REMARK  Name = BDB020931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.995  -0.100   0.977  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        3.123  -0.765  -0.328  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.748  -0.862  -1.015  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.718  -1.488  -0.175  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.544  -1.837  -0.619  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.383  -2.354   0.122  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.077  -1.701   1.229  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        1.865  -0.520   1.829  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.595   0.978   2.792  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.521   0.241   1.625  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        5.358  -0.117   1.027  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.189   0.252   1.599  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.192   1.012   2.772  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        5.399   1.374   3.376  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        8.885   1.596   3.825  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        7.858   1.320   3.362  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -0.870  -1.532  -2.074  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.303  -1.914  -2.441  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.285  -0.880  -1.942  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -3.586  -0.920  -0.610  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.109  -1.585  -0.001  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -4.410  -0.015   0.013  0.00  0.00    +0.262 A 
ATOM     23  O   LIG    1       -4.584  -0.031   1.224  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.037   0.976  -0.877  0.00  0.00    +0.100 A 
ATOM     25  C   LIG    1       -4.690   0.934  -2.231  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1       -5.262   1.863  -3.107  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1       -6.167   2.820  -2.641  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -6.505   2.852  -1.290  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -5.939   1.930  -0.411  0.00  0.00    +0.138 A 
ATOM     30  F   LIG    1       -6.290   1.993   0.880  0.00  0.00    -0.205 F 
ATOM     31  N   LIG    1       -3.783  -0.005  -2.754  0.00  0.00    -0.234 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5