REMARK  Name = BDB014959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.145  -3.610  -0.999  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.652  -3.409  -0.948  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.184  -2.222  -0.397  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.717  -2.107  -0.282  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.318  -0.695  -0.041  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.041  -0.073  -0.029  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.159   1.234   0.225  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.473   1.450   0.396  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -3.212   0.317   0.234  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.683   0.154   0.286  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.007  -1.345   0.465  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.896  -4.272  -1.393  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.045   2.782   0.616  0.00  0.00    +0.159 C 
ATOM     14  C   LIG    1       -3.558   2.983   2.042  0.00  0.00    +0.189 C 
ATOM     15  O   LIG    1       -2.872   4.261   2.130  0.00  0.00    -0.375 OA
ATOM     16  C   LIG    1       -2.036   3.869   1.000  0.00  0.00    +0.189 C 
ENDBRANCH   8  13
BRANCH   6  17
ATOM     17  N   LIG    1        0.098  -0.767  -0.259  0.00  0.00    -0.296 N 
ATOM     18  H   LIG    1        0.026  -1.757  -0.484  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.456  -0.371  -0.282  0.00  0.00    +0.068 A 
ATOM     20  C   LIG    1        2.429  -1.337  -0.585  0.00  0.00    +0.145 A 
ATOM     21  F   LIG    1        2.036  -2.596  -0.844  0.00  0.00    -0.204 F 
ATOM     22  C   LIG    1        3.791  -1.042  -0.630  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        4.231   0.257  -0.366  0.00  0.00    -0.012 A 
ATOM     24  C   LIG    1        3.274   1.235  -0.061  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        1.906   0.923  -0.019  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.642   0.602  -0.409  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.687  -0.272  -0.182  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.834   0.457  -0.306  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        9.187  -0.019  -0.153  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.618   1.751  -0.597  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.286   1.838  -0.657  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4