REMARK  Name = BDB012338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.452  -2.805  -0.436  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.333  -1.457  -0.152  0.00  0.00    +0.223 A 
ATOM      3  N   LIG    1        1.615  -0.914  -0.225  0.00  0.00    -0.182 N 
ATOM      4  N   LIG    1        2.525  -1.860  -0.609  0.00  0.00    -0.170 NA
ATOM      5  C   LIG    1        1.819  -2.983  -0.714  0.00  0.00    +0.142 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.026   0.438   0.028  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        1.092   1.367   0.366  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        1.505   2.631   0.594  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        2.821   3.035   0.501  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.772   2.078   0.152  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1        3.376   0.760  -0.090  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.208   2.415   0.026  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        6.099   1.645  -0.277  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.462   3.709   0.287  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.433   3.785   0.169  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  17
ATOM     16  C   LIG    1       -0.893  -4.391   0.955  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -0.618  -3.841  -0.436  0.00  0.00    +0.039 C 
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  O   LIG    1       -0.750  -0.762   0.208  0.00  0.00    -0.471 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.456  -0.185  -0.895  0.00  0.00    +0.266 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.662   0.578  -0.393  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1       -3.871   0.539  -1.106  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -4.976   1.269  -0.664  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -4.872   2.044   0.485  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1       -5.934   2.744   0.906  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -3.683   2.107   1.200  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -2.578   1.379   0.758  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7