REMARK  Name = BDB013123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.944  -0.009  -0.113  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.088  -1.058   0.311  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.740  -0.803   0.301  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.156  -1.922   0.818  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.073  -2.832   1.060  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.194   0.406  -0.143  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.985   1.371  -0.529  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.298  -2.285   0.741  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.347   1.139  -0.499  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        5.181   0.054   1.054  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        4.418  -0.091  -0.120  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.075  -0.331  -1.338  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        6.467  -0.424  -1.388  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.218  -0.279  -0.224  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.579  -0.041   0.993  0.00  0.00    +0.019 A 
BRANCH  10  17
ATOM     16  N   LIG    1        4.078   0.571   3.348  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        4.564   0.323   2.323  0.00  0.00    +0.100 C 
ENDBRANCH  10  17
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -1.170   0.607  -0.162  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.321   1.605  -0.321  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.990  -0.121  -1.129  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.418   0.336  -1.043  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.181   0.218   0.116  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.808  -0.271   1.466  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.200  -0.377   2.088  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.104   0.494   1.371  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.498   0.661   0.154  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.117   1.234  -0.939  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.379   1.347  -2.116  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.051   0.899  -2.159  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.375   1.027  -3.310  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5