REMARK  Name = BDB002018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.381  -3.289  -1.575  0.00  0.00    +0.157 C 
ATOM      2  N   LIG    1       -1.792  -2.143  -0.909  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1       -2.207  -0.885  -1.315  0.00  0.00    +0.333 A 
ATOM      4  O   LIG    1       -3.012  -0.747  -2.240  0.00  0.00    -0.246 OA
ATOM      5  N   LIG    1       -1.662   0.197  -0.625  0.00  0.00    -0.277 N 
ATOM      6  C   LIG    1       -0.722   0.065   0.395  0.00  0.00    +0.116 A 
ATOM      7  C   LIG    1       -0.375  -1.174   0.802  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -0.986  -2.361   0.183  0.00  0.00    +0.269 A 
ATOM      9  O   LIG    1       -0.745  -3.474   0.648  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -0.155   1.213   0.948  0.00  0.00    -0.344 N 
ATOM     11  H   LIG    1        0.440   1.001   1.757  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1        0.419   1.691   0.253  0.00  0.00    +0.144 HD
ENDBRANCH   6  10
BRANCH   7  13
ATOM     13  C   LIG    1        0.709  -1.351   1.808  0.00  0.00    +0.189 C 
ATOM     14  O   LIG    1        0.696  -0.696   2.856  0.00  0.00    -0.290 OA
BRANCH  13  15
ATOM     15  C   LIG    1        1.893  -2.249   1.430  0.00  0.00    +0.185 C 
BRANCH  15  16
ATOM     16  N   LIG    1        3.078  -1.443   1.040  0.00  0.00    -0.322 N 
ATOM     17  C   LIG    1        3.014  -0.683  -0.138  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        3.727   0.528  -0.271  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1        3.601   1.317  -1.429  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        2.817   0.889  -2.495  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.172  -0.337  -2.418  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.627   1.021   0.833  0.00  0.00    +0.038 C 
ATOM     23  C   LIG    1        5.061  -0.133   1.721  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        2.284  -1.115  -1.260  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        3.821  -0.878   2.180  0.00  0.00    +0.106 C 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   7  13
BRANCH   5  26
ATOM     26  C   LIG    1       -2.195   1.522  -0.974  0.00  0.00    +0.163 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.451   1.869  -0.200  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1       -3.371   2.435   1.080  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.529   2.742   1.796  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.781   2.483   1.243  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.876   1.914  -0.025  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.718   1.607  -0.742  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 6