REMARK  Name = BDB013062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.718   0.074   0.015  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.077   0.246  -1.242  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.710   0.389  -1.243  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.357   0.505  -2.556  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.432   0.467  -3.312  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.066   0.391  -0.077  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.529   0.238   1.076  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.518   0.301  -2.482  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.902   0.093   1.094  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        8.359  -0.517   0.655  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        6.880  -0.350   0.506  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1        6.081  -1.112   1.276  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        4.751  -0.959   1.096  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1        4.175  -0.079   0.196  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.096   0.627  -0.556  0.00  0.00    +0.123 A 
ATOM     16  N   LIG    1        6.438   0.520  -0.419  0.00  0.00    -0.240 NA
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1       -1.429   0.551  -0.179  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.811   0.982  -1.013  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.258   0.740   0.998  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.701   0.804   0.577  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -4.410  -0.335   0.207  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.968  -1.747   0.111  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.330  -2.422  -0.052  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.273  -1.459  -0.576  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.726  -0.251  -0.229  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.393   0.952  -0.322  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -5.707   2.108   0.050  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.374   2.036   0.492  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4