REMARK  Name = BDB048146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.940   0.804  -0.563  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1       -1.516   0.100   0.484  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1       -1.858   0.732   1.627  0.00  0.00    -0.217 NA
ATOM      4  C   LIG    1       -1.669   2.067   1.701  0.00  0.00    +0.134 A 
ATOM      5  N   LIG    1       -1.160   2.822   0.709  0.00  0.00    -0.239 NA
ATOM      6  C   LIG    1       -0.811   2.166  -0.414  0.00  0.00    +0.129 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        0.805   0.018  -2.136  0.00  0.00    -0.293 N 
ATOM      8  C   LIG    1       -0.552   0.163  -1.820  0.00  0.00    +0.252 C 
ATOM      9  O   LIG    1       -1.468  -0.212  -2.550  0.00  0.00    -0.270 OA
BRANCH   7  10
ATOM     10  C   LIG    1        1.921   0.378  -1.220  0.00  0.00    +0.090 C 
ATOM     11  C   LIG    1        2.997  -0.729  -1.070  0.00  0.00    +0.103 C 
ATOM     12  N   LIG    1        4.137  -0.248  -0.290  0.00  0.00    -0.314 NA
ATOM     13  H   LIG    1        4.794  -1.007  -0.111  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        4.827   0.875  -0.927  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        4.012   1.605  -2.001  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1        2.542   1.737  -1.608  0.00  0.00    +0.025 C 
ENDBRANCH   7  10
BRANCH   7  18
ATOM     17  C   LIG    1        0.988  -2.016  -3.559  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        1.118  -0.501  -3.471  0.00  0.00    +0.105 C 
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  C   LIG    1       -2.071   2.750   2.988  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.243   3.703   2.752  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -0.884   3.480   3.617  0.00  0.00    +0.015 C 
ENDBRANCH   4  19
BRANCH   2  22
ATOM     22  N   LIG    1       -1.672  -1.297   0.396  0.00  0.00    -0.321 N 
ATOM     23  H   LIG    1       -2.094  -1.526  -0.507  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.429  -1.902   1.492  0.00  0.00    +0.177 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.593  -3.380   1.347  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1       -3.755  -3.919   1.824  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1       -3.692  -5.256   1.600  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1       -2.507  -5.588   0.985  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1       -1.794  -4.377   0.820  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   2  22
TORSDOF 7