REMARK  Name = BDB002313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.145  -0.504   2.842  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.019   0.157   3.167  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.203   0.327   2.326  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -2.270   0.826   3.299  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -1.461   1.644   4.304  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.154   0.872   4.423  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        2.121  -0.517   3.601  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.967   1.370   1.212  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -1.824   1.240   0.141  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -2.410   0.419   0.063  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.113   2.249   1.282  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -1.653   2.032  -1.071  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.951   1.995  -1.856  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -3.099   1.190  -3.002  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1       -4.330   1.169  -3.674  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.410   1.919  -3.207  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.270   2.705  -2.068  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -1.945   0.401  -3.574  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1       -0.788   0.215  -2.596  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -4.050   2.743  -1.395  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -0.459   1.532  -1.900  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1        1.181  -1.302   1.520  0.00  0.00    +0.159 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.572  -1.353   1.085  0.00  0.00    -0.303 N 
ATOM     24  H   LIG    1        3.268  -1.229   1.815  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        2.930  -1.196  -0.239  0.00  0.00    +0.230 C 
ATOM     26  O   LIG    1        2.094  -1.134  -1.138  0.00  0.00    -0.274 OA
BRANCH  25  27
ATOM     27  C   LIG    1        4.459  -1.097  -0.453  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        4.883   0.356  -0.242  0.00  0.00    +0.034 C 
BRANCH  27  29
ATOM     29  N   LIG    1        4.873  -1.542  -1.799  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1        5.858  -1.326  -1.938  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1        4.664  -2.971  -1.991  0.00  0.00    +0.101 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1        0.373  -3.479   0.473  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1        0.617  -2.708   1.762  0.00  0.00    +0.028 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7