REMARK  Name = BDB003657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.805  -0.311   0.167  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -3.741   0.832   0.296  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -5.117   0.612   0.197  0.00  0.00    +0.141 A 
ATOM      4  C   LIG    1       -6.048   1.647   0.287  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -5.603   2.948   0.502  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -4.238   3.197   0.634  0.00  0.00    +0.001 A 
ATOM      7  O   LIG    1       -5.645  -0.683   0.036  0.00  0.00    -0.420 OA
ATOM      8  C   LIG    1       -4.822  -1.803   0.065  0.00  0.00    +0.370 A 
ATOM      9  O   LIG    1       -5.301  -2.930   0.073  0.00  0.00    -0.243 OA
ATOM     10  C   LIG    1       -3.317   2.147   0.537  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.390  -1.522   0.087  0.00  0.00    +0.231 A 
ENDROOT
BRANCH  11  12
ATOM     12  N   LIG    1       -2.538  -2.658  -0.074  0.00  0.00    +0.065 N 
ATOM     13  O   LIG    1       -1.813  -2.964   0.883  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -2.544  -3.216  -1.179  0.00  0.00    -0.126 OA
ENDBRANCH  11  12
BRANCH   1  15
ATOM     15  N   LIG    1       -1.435  -0.010   0.175  0.00  0.00    -0.338 N 
ATOM     16  H   LIG    1       -0.879  -0.812   0.512  0.00  0.00    +0.146 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -0.773   0.478  -1.055  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.727   0.668  -0.803  0.00  0.00    +0.247 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.292  -0.618  -0.533  0.00  0.00    -0.490 OA
BRANCH  19  23
ATOM     20  C   LIG    1        5.348  -1.054   0.354  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        4.465  -2.134   0.338  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.115  -1.943   0.036  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        2.628  -0.668  -0.254  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        3.507   0.414  -0.239  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        4.863   0.222   0.064  0.00  0.00    +0.049 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.578  -0.306   0.699  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.640  -1.374   0.663  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 7