REMARK  Name = BDB013649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.748   0.296  -0.496  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1        0.593  -0.447  -1.184  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.012   0.315   0.057  0.00  0.00    +0.166 A 
ATOM      4  C   LIG    1        3.060  -0.497  -0.614  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1        4.338  -0.468  -0.110  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        5.314  -1.233  -0.751  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        4.958  -1.994  -1.864  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        3.637  -1.964  -2.293  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        4.625   0.345   1.073  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1        5.777   0.384   1.499  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        3.547   1.018   1.640  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        3.748   1.867   2.800  0.00  0.00    +0.176 C 
ATOM     13  N   LIG    1        2.670  -1.235  -1.694  0.00  0.00    -0.251 NA
ATOM     14  N   LIG    1        2.272   1.018   1.124  0.00  0.00    -0.151 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.447   0.624   0.271  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.724   0.404  -0.602  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.011   0.773   0.136  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1       -3.284   0.336   1.442  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.470   0.697   2.085  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.402   1.501   1.434  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.151   1.943   0.139  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.966   1.582  -0.505  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     23  C   LIG    1       -1.868  -2.070  -0.373  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1       -1.726  -0.930  -1.274  0.00  0.00    -0.300 NA
ATOM     25  C   LIG    1       -2.704  -1.009  -2.358  0.00  0.00    +0.105 C 
ENDBRANCH  16  24
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5