REMARK  Name = BDB003673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.765   0.273   0.467  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1       -3.933  -0.983  -0.190  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.853  -1.651  -0.670  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.506  -1.114  -0.487  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -1.353   0.165   0.192  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -0.014   0.799   0.359  0.00  0.00    +0.216 C 
ATOM      7  C   LIG    1        1.117   0.224  -0.499  0.00  0.00    +0.233 C 
ATOM      8  C   LIG    1        0.933  -1.289  -0.694  0.00  0.00    +0.208 C 
ATOM      9  O   LIG    1        1.857  -2.102  -0.690  0.00  0.00    -0.288 OA
ATOM     10  C   LIG    1        1.050   0.962  -1.847  0.00  0.00    +0.073 C 
ATOM     11  O   LIG    1        0.132   1.770   1.103  0.00  0.00    -0.287 OA
ATOM     12  C   LIG    1       -0.440  -1.810  -0.906  0.00  0.00    +0.059 C 
ATOM     13  C   LIG    1       -2.463   0.783   0.625  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -5.307  -1.515  -0.359  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -5.586  -2.995  -0.212  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -6.047  -2.046   0.848  0.00  0.00    +0.010 C 
ENDBRANCH   2  14
BRANCH   1  17
ATOM     17  C   LIG    1       -4.901   1.117   0.887  0.00  0.00    +0.148 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -5.178   3.417  -0.111  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -5.229   2.082  -0.219  0.00  0.00    -0.013 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  O   LIG    1        2.333   0.503   0.229  0.00  0.00    -0.442 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.537   0.324  -0.372  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1        3.714   0.061  -1.551  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.636   0.534   0.637  0.00  0.00    +0.132 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.992   0.156   0.056  0.00  0.00    +0.132 C 
BRANCH  24  25
ATOM     25  C   LIG    1        7.088   0.328   1.074  0.00  0.00    +0.307 C 
ATOM     26  O   LIG    1        6.938   0.759   2.208  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1        8.277  -0.064   0.536  0.00  0.00    -0.468 OA
ATOM     28  C   LIG    1        9.388   0.061   1.425  0.00  0.00    +0.280 C 
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 9