REMARK  Name = BDB064297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.215   1.115   0.286  0.00  0.00    +0.191 C 
ATOM      2  N   LIG    1        0.252   2.399   0.238  0.00  0.00    -0.236 N 
ATOM      3  C   LIG    1        1.498   2.373  -0.333  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1        2.303   3.269  -0.503  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        1.673   0.939  -0.673  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        2.763   0.475  -1.298  0.00  0.00    +0.041 C 
ATOM      7  N   LIG    1        0.578   0.232  -0.249  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1        3.014  -0.927  -1.671  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1        2.640  -1.995  -0.841  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        2.928  -3.309  -1.250  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        3.590  -3.581  -2.448  0.00  0.00    +0.078 A 
ATOM     12  N   LIG    1        3.805  -4.923  -2.718  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1        3.314  -5.649  -1.740  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        3.981  -2.501  -3.262  0.00  0.00    +0.029 A 
ATOM     15  S   LIG    1        2.574  -4.796  -0.453  0.00  0.00    -0.075 S 
ATOM     16  C   LIG    1        3.694  -1.188  -2.865  0.00  0.00    +0.010 A 
ENDBRANCH   6   8
BRANCH   2  17
ATOM     17  C   LIG    1       -0.309   3.576   0.893  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -0.290   4.853   0.033  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1        0.547   5.865   0.808  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        0.372   5.450   2.259  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        0.433   3.933   2.191  0.00  0.00    +0.023 C 
ENDBRANCH   2  17
BRANCH   1  22
ATOM     22  N   LIG    1       -1.424   0.818   0.853  0.00  0.00    -0.311 N 
ATOM     23  H   LIG    1       -2.112   1.555   0.735  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.089  -0.491   0.691  0.00  0.00    +0.099 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.515  -0.671  -0.781  0.00  0.00    +0.181 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -3.809   0.317  -2.491  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -3.432   0.384  -1.121  0.00  0.00    -0.381 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
BRANCH  24  28
ATOM     28  C   LIG    1       -1.216  -1.643   1.225  0.00  0.00    +0.027 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.987  -2.721   2.017  0.00  0.00    -0.015 C 
ATOM     30  C   LIG    1       -1.000  -3.752   2.574  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -3.057  -3.431   1.190  0.00  0.00    +0.007 C 
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 8