REMARK  Name = BDB016002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.153   2.402   0.049  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.371   1.307  -0.039  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.936   1.469  -0.325  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.474   2.737  -0.539  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.591   3.794  -0.430  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.716   3.660  -0.137  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.463   0.704   0.912  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.109   0.914   0.603  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.581   2.203   0.372  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.472   3.287   0.465  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.821   3.097   0.773  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.312   1.812   0.997  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.106  -4.221   0.795  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.250  -2.815   1.080  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.247  -2.401   1.882  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.081  -1.076   1.924  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.981  -0.634   1.151  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.469  -1.798   0.613  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.866   2.981  -0.835  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.339   3.478  -2.031  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.697   3.544  -1.899  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.646   3.984  -2.892  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.138   3.146  -0.690  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.020   2.808  -0.042  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.737   0.321  -0.495  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.628   0.448  -0.027  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.097  -0.947  -0.150  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.056  -2.103  -0.443  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -3.286  -2.147   0.485  0.00  0.00    +0.036 C 
ATOM     30  C   LIG    1       -3.469  -3.615   0.878  0.00  0.00    +0.115 C 
ATOM     31  C   LIG    1       -2.567  -4.405  -0.060  0.00  0.00    +0.031 C 
ATOM     32  C   LIG    1       -1.388  -3.468  -0.275  0.00  0.00    +0.007 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -3.014  -3.805   2.215  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -3.631  -3.334   2.802  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7