REMARK  Name = BDB026680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.369  -1.911   0.191  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        3.265  -2.735  -0.058  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.987  -2.159  -0.062  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.785  -2.768  -0.263  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -0.134  -1.815  -0.204  0.00  0.00    +0.165 A 
ATOM      6  N   LIG    1        0.449  -0.588   0.129  0.00  0.00    -0.291 N 
ATOM      7  C   LIG    1        1.829  -0.797   0.177  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        2.927   0.025   0.490  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.201  -0.556   0.485  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -0.207   0.639   0.444  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -1.361   0.637   1.241  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -1.998   1.843   1.560  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -3.296   1.857   2.318  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -3.462   3.149   3.101  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -3.157   4.367   2.261  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1       -2.128   4.248   1.364  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -1.848   5.104   0.904  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -3.725   5.443   2.430  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -1.480   3.046   1.070  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -0.343   3.054   0.265  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.300   1.852  -0.042  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.546  -2.051  -0.535  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1       -2.203  -1.035  -1.141  0.00  0.00    -0.210 NA
ATOM     24  C   LIG    1       -3.492  -1.254  -1.479  0.00  0.00    +0.215 A 
ATOM     25  C   LIG    1       -4.159  -2.446  -1.246  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1       -3.464  -3.483  -0.636  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.134  -3.287  -0.280  0.00  0.00    +0.032 A 
BRANCH  24  28
ATOM     28  O   LIG    1       -4.225  -0.257  -2.091  0.00  0.00    -0.480 OA
ATOM     29  C   LIG    1       -3.474   0.930  -2.321  0.00  0.00    +0.279 C 
ENDBRANCH  24  28
ENDBRANCH   5  22
BRANCH   1  33
ATOM     30  C   LIG    1        6.617  -0.994  -1.573  0.00  0.00    +0.128 C 
ATOM     31  N   LIG    1        6.734  -1.962  -0.507  0.00  0.00    -0.314 N 
ATOM     32  H   LIG    1        7.597  -2.490  -0.438  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        5.712  -2.531   0.212  0.00  0.00    +0.244 C 
ATOM     34  O   LIG    1        5.902  -3.553   0.863  0.00  0.00    -0.270 OA
ENDBRANCH   1  33
TORSDOF 4