REMARK  Name = BDB022957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.849  -1.452  -0.039  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -1.463  -1.617  -0.029  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.941  -2.995   0.017  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -0.736  -3.459   1.464  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        0.333  -3.136  -0.832  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        1.320  -2.046  -0.566  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        0.932  -0.818  -0.071  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        1.813   0.186   0.145  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        3.101  -0.041  -0.144  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        3.558  -1.192  -0.648  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        2.659  -2.171  -0.853  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -0.511  -0.539   0.285  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -3.603  -2.423  -0.130  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -4.811   0.171  -2.019  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -4.854   0.062  -0.492  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -3.421  -0.033   0.095  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1       -3.385   0.410   1.571  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -4.759   0.324   2.231  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1       -5.779   1.135   1.562  0.00  0.00    -0.305 NA
ATOM     20  C   LIG    1       -5.962   2.438   2.193  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -5.582   1.271   0.113  0.00  0.00    +0.088 C 
ENDBRANCH   1  16
BRANCH   9  22
ATOM     22  N   LIG    1        3.958   1.020   0.112  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1        3.350   1.828   0.189  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.091   1.166  -0.802  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1        6.257   0.261  -0.373  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1        7.612   0.899  -0.648  0.00  0.00    +0.161 C 
ATOM     27  O   LIG    1        7.555   1.664  -1.847  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        6.742   2.830  -1.714  0.00  0.00    +0.161 C 
ATOM     29  C   LIG    1        5.539   2.629  -0.798  0.00  0.00    +0.050 C 
ENDBRANCH  22  24
ENDBRANCH   9  22
TORSDOF 3