REMARK  Name = BDB002621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.288   0.584   0.277  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.866   0.002  -0.112  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -1.045  -1.470  -0.407  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.256  -2.044   0.331  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -3.516  -1.183   0.194  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.317   0.051  -0.689  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1       -2.076   0.822  -0.287  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1       -2.044   2.157  -0.076  0.00  0.00    +0.119 A 
ATOM      9  C   LIG    1       -0.761   2.787   0.337  0.00  0.00    +0.267 A 
ATOM     10  O   LIG    1       -0.648   3.992   0.540  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        0.311   1.945   0.489  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        1.171   2.399   0.775  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.177   3.001  -0.231  0.00  0.00    +0.105 C 
ATOM     14  N   LIG    1       -4.136   3.641  -0.372  0.00  0.00    -0.191 NA
ENDBRANCH   8  13
BRANCH   1  15
ATOM     15  C   LIG    1        1.600  -0.129   0.522  0.00  0.00    +0.053 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.476  -0.143  -0.735  0.00  0.00    +0.006 C 
BRANCH  16  18
ATOM     17  C   LIG    1        4.728  -0.335   0.451  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        3.769  -0.943  -0.561  0.00  0.00    -0.003 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4