REMARK  Name = BDB014479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.649   2.227   1.464  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1       -1.119   0.995   1.132  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.658   0.467   0.439  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.007   3.092   2.053  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.646   3.768   1.403  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1       -3.132   2.370   1.077  0.00  0.00    +0.256 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -3.241   2.159  -0.341  0.00  0.00    -0.478 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -4.303   1.343  -0.664  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -4.226  -0.049  -0.510  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -5.353  -0.801  -0.909  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.311  -2.193  -0.764  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -4.177  -2.804  -0.247  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -3.117  -1.998   0.113  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -6.488  -0.166  -1.447  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -6.517   1.217  -1.610  0.00  0.00    +0.004 A 
ATOM     16  N   LIG    1       -3.118  -0.649  -0.002  0.00  0.00    -0.251 NA
ATOM     17  C   LIG    1       -5.418   1.974  -1.227  0.00  0.00    +0.048 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  18
ATOM     18  C   LIG    1        0.308   0.729   1.246  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.581  -0.779   1.207  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.236  -1.428   2.201  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.048  -0.886   2.262  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.052  -1.156   1.470  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.982  -0.616   0.464  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.965  -1.644   0.062  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.041  -1.125  -0.870  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        5.332   0.248  -0.941  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.354   0.702  -1.786  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.101  -0.206  -2.536  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.829  -1.570  -2.454  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.502   1.233  -0.158  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.806  -2.029  -1.623  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.709   0.562   0.972  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 8