REMARK  Name = BDB005638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.018   0.322   0.732  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        1.208  -0.720  -0.197  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.301  -1.794  -0.152  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        0.433  -2.862  -1.047  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.207  -3.643  -1.015  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        1.415  -2.948  -1.990  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1        2.376  -1.818  -2.062  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        3.457  -1.910  -3.109  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        4.194  -0.583  -3.330  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        4.467   0.119  -2.004  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1        3.211   0.268  -1.289  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        3.257   0.813  -0.426  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1        1.500  -3.922  -2.732  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.744  -1.839   0.780  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -0.913  -0.807   1.709  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        2.289  -0.769  -1.219  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -0.011   0.265   1.686  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        1.893   1.383   0.776  0.00  0.00    -0.492 OA
BRANCH  18  20
ATOM     19  C   LIG    1        2.314   3.639   0.122  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        1.239   2.618   0.449  0.00  0.00    +0.226 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH  15  21
ATOM     21  C   LIG    1       -2.032  -0.853   2.727  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.304  -0.231   2.347  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1       -3.223   1.220   2.112  0.00  0.00    +0.113 C 
ATOM     24  C   LIG    1       -4.619   1.808   1.841  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1       -5.243   1.168   0.721  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -5.357  -0.242   0.961  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1       -3.979  -0.879   1.211  0.00  0.00    +0.113 C 
ENDBRANCH  21  22
ENDBRANCH  15  21
TORSDOF 4