REMARK  Name = BDB018489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.156  -0.688   1.498  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -1.336  -0.788   0.799  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1       -2.071   0.342   1.091  0.00  0.00    -0.239 N 
ATOM      4  N   LIG    1       -1.450   1.099   2.035  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -0.280   0.494   2.243  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        2.172  -1.300   0.751  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1        0.931  -1.613   1.470  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.846  -2.796   2.108  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.887  -3.708   2.125  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        1.707  -4.955   2.853  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.101  -3.460   1.494  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1        4.068  -4.216   1.500  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.197  -2.171   0.764  0.00  0.00    +0.079 A 
BRANCH   6  17
ATOM     14  C   LIG    1        2.686   2.285  -1.542  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        3.034   2.262  -0.191  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.880   1.088   0.556  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.371  -0.071  -0.041  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1        2.030  -0.048  -1.397  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        2.187   1.125  -2.139  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        3.348   4.549  -1.840  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        2.779   3.363  -2.379  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   6  17
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  C   LIG    1       -3.338   0.745   0.582  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1       -3.864   0.287  -0.637  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1       -5.182   0.616  -1.001  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.957   1.440  -0.186  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.418   1.951   0.990  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.118   1.610   1.373  0.00  0.00    +0.028 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.087  -0.418  -1.679  0.00  0.00    +0.259 C 
ATOM     29  N   LIG    1       -1.913   0.257  -2.076  0.00  0.00    -0.219 N 
ATOM     30  H   LIG    1       -1.679   1.189  -1.735  0.00  0.00    +0.167 HD
ATOM     31  O   LIG    1       -3.486  -1.474  -2.140  0.00  0.00    -0.269 OA
BRANCH  29  32
ATOM     32  C   LIG    1       -1.279  -0.312  -3.098  0.00  0.00    +0.173 C 
ATOM     33  N   LIG    1       -0.678  -0.757  -3.981  0.00  0.00    -0.174 NA
ENDBRANCH  29  32
ENDBRANCH  23  28
ENDBRANCH   3  22
TORSDOF 6