REMARK  Name = BDB062916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.456   1.409   1.210  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.381   0.811   0.368  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -2.650  -0.568  -0.007  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1       -3.707  -0.595  -0.934  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -4.147   0.796  -1.156  0.00  0.00    +0.194 C 
ATOM      6  O   LIG    1       -5.032   1.171  -1.895  0.00  0.00    -0.287 OA
ATOM      7  C   LIG    1       -4.208  -1.754  -1.495  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -3.621  -2.954  -1.099  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.570  -2.960  -0.164  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.081  -1.767   0.390  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.291   1.646  -0.305  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -3.333   3.023  -0.160  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -2.416   3.604   0.714  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.484   2.804   1.397  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  19
ATOM     15  N   LIG    1        3.129  -0.781  -0.168  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        2.521   0.539  -0.435  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1        1.008   0.595  -0.147  0.00  0.00    +0.123 C 
ATOM     18  N   LIG    1        0.703   0.248   1.246  0.00  0.00    -0.295 N 
ATOM     19  C   LIG    1       -0.435   0.639   1.936  0.00  0.00    +0.247 C 
ATOM     20  O   LIG    1       -0.643   0.390   3.120  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        1.700  -0.570   1.936  0.00  0.00    +0.123 C 
ATOM     22  C   LIG    1        2.473  -1.478   0.962  0.00  0.00    +0.103 C 
BRANCH  15  24
ATOM     23  C   LIG    1        5.320  -0.162  -1.201  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        4.584  -0.698   0.023  0.00  0.00    +0.081 C 
ENDBRANCH  15  24
ENDBRANCH   1  19
TORSDOF 2