REMARK  Name = BDB014412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.942  -2.068   0.754  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.487  -1.415  -0.132  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.971  -1.294  -1.406  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.620  -0.916  -2.090  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.122  -2.118  -1.888  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.452  -1.981  -1.131  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.459  -2.723  -1.841  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -3.307  -2.348  -1.523  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.922  -0.513  -1.020  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.304  -0.412  -0.487  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.341  -0.766   0.952  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.673  -0.483   1.617  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.591   0.416   1.050  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.804   0.679   1.701  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.093   0.073   2.923  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.176  -0.803   3.500  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.296   1.044  -0.287  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.971  -1.078   2.853  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.810   0.962  -0.657  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.772  -0.618   0.108  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.346  -0.227  -1.138  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.533   0.473  -1.119  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        5.251   0.917   0.011  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1        6.457   1.623  -0.226  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        7.204   2.081   0.869  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        6.764   1.844   2.162  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.583   1.153   2.317  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        6.911   1.869  -1.532  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        6.185   1.424  -2.628  0.00  0.00    +0.004 A 
ATOM     30  N   LIG    1        4.838   0.699   1.285  0.00  0.00    -0.251 NA
ATOM     31  C   LIG    1        5.001   0.729  -2.419  0.00  0.00    +0.048 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8