REMARK  Name = BDB046959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.461   0.056  -0.959  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1       -0.557  -0.903  -0.624  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.635  -0.217  -0.039  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.788  -0.896   0.411  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.965  -0.266   1.063  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -4.217   1.075   0.961  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -5.100   1.332   1.389  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -3.561   2.038   0.107  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -2.095   2.210   0.460  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1       -4.757  -0.955   1.704  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -2.818  -2.297   0.256  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -1.766  -2.991  -0.328  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -1.280   1.114  -0.030  0.00  0.00    -0.344 N 
ATOM     14  C   LIG    1       -0.637  -2.305  -0.771  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -0.037   1.289  -0.577  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1        1.792  -0.247  -1.603  0.00  0.00    +0.212 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.829  -0.109  -0.495  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1        3.465   1.110  -0.196  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        4.403   1.196   0.836  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.718   0.068   1.590  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.095  -1.146   1.316  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.158  -1.235   0.284  0.00  0.00    +0.006 A 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     23  O   LIG    1        2.216   0.029  -3.831  0.00  0.00    -0.148 OA
ATOM     24  N   LIG    1        2.049   0.656  -2.777  0.00  0.00    -0.056 NA
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 3