REMARK  Name = BDB054493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.748  -1.640  -0.106  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.391  -1.414   0.158  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.889  -0.101   0.087  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.707   0.972  -0.246  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        0.896   2.147  -0.245  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.415   1.778   0.088  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -1.447   2.740   0.149  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.885   2.496   0.485  0.00  0.00    +0.068 C 
ATOM      9  N   LIG    1       -1.125   4.040  -0.109  0.00  0.00    -0.258 NA
ATOM     10  C   LIG    1        0.137   4.385  -0.422  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        1.185   3.494  -0.508  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        3.072   0.731  -0.508  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1       -0.383   0.405   0.300  0.00  0.00    -0.338 N 
ATOM     14  C   LIG    1        3.580  -0.574  -0.434  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        4.490  -3.251  -0.279  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        3.127  -2.952  -0.007  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
BRANCH  13  17
ATOM     17  C   LIG    1       -1.504  -0.435   0.706  0.00  0.00    +0.123 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.231  -1.045  -0.490  0.00  0.00    +0.036 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.527  -1.754  -0.103  0.00  0.00    +0.079 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.293  -2.892   0.776  0.00  0.00    -0.330 NA
ATOM     21  H   LIG    1       -3.054  -2.579   1.715  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1       -4.159  -3.423   0.878  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 5