REMARK  Name = BDB056200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.146  -0.683   0.713  0.00  0.00    +0.020 A 
ATOM      2  N   LIG    1       -0.517  -1.603  -0.237  0.00  0.00    -0.326 N 
ATOM      3  H   LIG    1        0.120  -2.345  -0.504  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -1.736  -1.629  -0.875  0.00  0.00    +0.257 A 
ATOM      5  O   LIG    1       -2.006  -2.486  -1.709  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -2.701  -0.565  -0.499  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.326   0.405   0.450  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.233   1.439   0.764  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -4.525   1.396   0.212  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -4.887   0.423  -0.721  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.969  -0.553  -1.090  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -0.999   0.288   1.079  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   8  13
ATOM     13  N   LIG    1       -2.973   2.401   1.760  0.00  0.00    -0.357 N 
ATOM     14  H   LIG    1       -1.996   2.665   1.825  0.00  0.00    +0.142 HD
ATOM     15  H   LIG    1       -3.571   3.219   1.698  0.00  0.00    +0.142 HD
ENDBRANCH   8  13
BRANCH   1  16
ATOM     16  C   LIG    1        1.214  -0.852   1.343  0.00  0.00    +0.053 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.337  -0.085   0.632  0.00  0.00    +0.006 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.643  -0.609  -0.775  0.00  0.00    +0.000 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.140  -0.071  -0.810  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        3.784   0.144  -1.465  0.00  0.00    -0.003 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5