REMARK  Name = BDB002748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.739  -0.137  -0.455  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1        0.403  -1.055  -0.368  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        1.711  -0.240  -0.326  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1        1.724   0.892  -1.369  0.00  0.00    +0.014 C 
ATOM      5  C   LIG    1        0.622   0.714  -2.405  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -0.760   0.567  -1.752  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.911  -1.166  -0.511  0.00  0.00    +0.168 C 
ATOM      8  O   LIG    1        2.806  -2.253  -1.079  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.259  -0.750  -0.001  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        5.322  -1.661  -0.133  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        6.600  -1.333   0.322  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        6.816  -0.087   0.912  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        5.771   0.826   1.046  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        4.493   0.497   0.591  0.00  0.00    +0.011 A 
BRANCH  11  15
ATOM     15  O   LIG    1        7.709  -2.131   0.251  0.00  0.00    -0.495 OA
ATOM     16  C   LIG    1        7.546  -3.410  -0.350  0.00  0.00    +0.277 C 
ENDBRANCH  11  15
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  C   LIG    1       -2.004  -0.839  -0.188  0.00  0.00    +0.123 C 
BRANCH  17  22
ATOM     18  N   LIG    1       -4.414   1.753   0.743  0.00  0.00    -0.271 N 
ATOM     19  N   LIG    1       -5.095   1.255  -0.303  0.00  0.00    -0.176 NA
ATOM     20  C   LIG    1       -4.314   0.267  -0.759  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1       -4.744  -0.537  -1.930  0.00  0.00    +0.068 C 
ATOM     22  C   LIG    1       -3.117   0.141   0.001  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -3.228   1.122   0.967  0.00  0.00    +0.113 A 
BRANCH  18  24
ATOM     24  C   LIG    1       -4.953   2.872   1.491  0.00  0.00    +0.143 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -6.917   1.670   2.576  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.635   2.461   2.795  0.00  0.00    +0.020 C 
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 7