REMARK  Name = BDB025613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.149  -0.635   0.194  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.030  -0.067  -0.702  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -2.251   0.583  -0.222  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1       -2.862   1.251  -1.463  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -1.680   1.427  -2.404  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.802   0.210  -2.114  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -0.335  -0.534   1.411  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -3.253  -0.462   0.326  0.00  0.00    +0.236 C 
ATOM      9  N   LIG    1       -4.271  -0.005   1.168  0.00  0.00    -0.306 N 
ATOM     10  C   LIG    1       -4.200   1.268   1.866  0.00  0.00    +0.131 C 
ATOM     11  C   LIG    1       -5.131  -1.011   1.771  0.00  0.00    +0.131 C 
ATOM     12  O   LIG    1       -3.201  -1.639  -0.049  0.00  0.00    -0.274 OA
ENDBRANCH   3   8
BRANCH   5  13
ATOM     13  O   LIG    1       -0.986   2.627  -2.066  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -1.522   3.377  -2.378  0.00  0.00    +0.210 HD
ENDBRANCH   5  13
BRANCH   1  15
ATOM     15  C   LIG    1        1.051  -1.403  -0.368  0.00  0.00    +0.197 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.183  -0.493  -0.468  0.00  0.00    -0.239 N 
ATOM     17  N   LIG    1        2.850  -0.377  -1.636  0.00  0.00    -0.065 NA
ATOM     18  N   LIG    1        3.836   0.490  -1.448  0.00  0.00    -0.134 NA
ATOM     19  C   LIG    1        3.781   0.907  -0.151  0.00  0.00    +0.086 A 
ATOM     20  C   LIG    1        2.747   0.286   0.501  0.00  0.00    +0.134 A 
BRANCH  19  21
ATOM     21  C   LIG    1        4.762   1.915   0.484  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        4.237   3.229   1.001  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1        5.066   3.196  -0.249  0.00  0.00    +0.010 C 
ENDBRANCH  19  21
ENDBRANCH  15  16
BRANCH  15  25
ATOM     24  C   LIG    1        0.194  -3.635   0.503  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        1.378  -2.658   0.488  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        2.617  -3.402  -0.029  0.00  0.00    +0.010 C 
ENDBRANCH  15  25
ENDBRANCH   1  15
TORSDOF 6