REMARK  Name = BDB006838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.365   0.221  -0.477  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        3.031   0.048  -0.072  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.114  -0.436  -0.993  0.00  0.00    +0.040 A 
ATOM      4  N   LIG    1        0.736  -0.686  -0.833  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.195  -1.141  -2.126  0.00  0.00    +0.118 C 
ATOM      6  C   LIG    1        1.369  -1.282  -3.101  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        0.007  -0.512   0.343  0.00  0.00    +0.234 C 
ATOM      8  O   LIG    1        0.512  -0.145   1.404  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        2.509  -0.750  -2.295  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        3.821  -0.590  -2.713  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.751  -0.099  -1.795  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1        5.414   0.738   0.445  0.00  0.00    +0.339 C 
ATOM     13  O   LIG    1        6.581   0.889   0.116  0.00  0.00    -0.245 OA
BRANCH  12  15
ATOM     14  C   LIG    1        5.845   1.508   2.608  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        4.895   1.009   1.666  0.00  0.00    -0.464 OA
ENDBRANCH  12  15
ENDBRANCH   1  12
BRANCH   7  16
ATOM     16  C   LIG    1       -1.503  -0.830   0.210  0.00  0.00    +0.181 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.277  -0.519   1.430  0.00  0.00    -0.291 NA
ATOM     18  C   LIG    1       -3.633  -1.105   1.379  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -4.612  -0.392   0.406  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1       -6.005  -1.012   0.504  0.00  0.00    +0.025 C 
ATOM     21  N   LIG    1       -4.715   1.050   0.679  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -5.282   1.506  -0.034  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.385   1.670   0.733  0.00  0.00    +0.096 C 
ATOM     24  C   LIG    1       -2.403   0.935   1.675  0.00  0.00    +0.100 C 
ENDBRANCH  16  17
ENDBRANCH   7  16
TORSDOF 4