REMARK  Name = BDB016405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.145   0.044  -0.172  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        2.166   1.036  -0.021  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.813   0.675   0.068  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        0.399  -0.667   0.019  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1       -0.974  -0.989   0.084  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -1.361  -2.392  -0.165  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1       -0.355  -3.353   0.452  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.013  -3.117  -0.170  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.387  -1.658  -0.118  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.742  -1.300  -0.223  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.974  -0.264   0.806  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -3.195   0.120   0.153  0.00  0.00    +0.070 A 
ATOM     13  N   LIG    1       -3.293  -0.237  -1.201  0.00  0.00    -0.338 N 
ATOM     14  H   LIG    1       -2.345  -0.330  -1.575  0.00  0.00    +0.146 HD
ATOM     15  C   LIG    1       -4.204   0.408  -2.127  0.00  0.00    +0.076 C 
ATOM     16  C   LIG    1       -5.637   0.111  -1.757  0.00  0.00    +0.118 C 
ATOM     17  C   LIG    1       -6.164   0.963  -0.649  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -5.472   1.150   0.499  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -6.026   1.680   1.162  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1       -7.288   1.470  -0.738  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -3.864   1.879  -2.357  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -4.191   0.750   0.925  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -3.919   1.067   2.273  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -2.709   0.737   2.879  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -1.742   0.065   2.150  0.00  0.00    +0.025 A 
ENDBRANCH   5  11
BRANCH   1  27
ATOM     26  C   LIG    1        5.393   0.085   0.763  0.00  0.00    +0.077 C 
ATOM     27  C   LIG    1        4.584   0.350  -0.279  0.00  0.00    +0.014 C 
BRANCH  26  29
ATOM     28  C   LIG    1        7.480   0.486   2.069  0.00  0.00    +0.125 C 
ATOM     29  N   LIG    1        6.757   0.260   0.839  0.00  0.00    -0.352 N 
ATOM     30  H   LIG    1        7.109   0.788   0.025  0.00  0.00    +0.145 HD
ENDBRANCH  26  29
BRANCH  27  31
ATOM     31  C   LIG    1        5.120   0.943  -1.542  0.00  0.00    +0.111 C 
ATOM     32  N   LIG    1        6.333   1.352  -1.729  0.00  0.00    -0.307 NA
ATOM     33  H   LIG    1        6.426   1.723  -2.682  0.00  0.00    +0.186 HD
ENDBRANCH  27  31
ENDBRANCH   1  27
BRANCH   2  34
ATOM     34  C   LIG    1        2.504   2.430   0.039  0.00  0.00    +0.100 C 
ATOM     35  N   LIG    1        2.756   3.563   0.071  0.00  0.00    -0.191 NA
ENDBRANCH   2  34
TORSDOF 5