REMARK  Name = BDB014519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.921   2.022  -2.744  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.857   2.320  -1.404  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -1.729   2.247  -0.869  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.075   1.765  -3.418  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.334   2.043  -3.342  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.353   1.386  -2.596  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -3.293  -0.348  -0.968  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1       -3.085   0.077  -2.287  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1       -2.666  -0.849  -3.244  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.412  -2.173  -2.873  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -2.583  -2.582  -1.550  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.022  -1.670  -0.592  0.00  0.00    +0.017 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -5.979  -0.413   0.272  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1       -4.891   0.428   0.754  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1       -3.691   0.623   0.073  0.00  0.00    +0.250 C 
ATOM     16  O   LIG    1       -2.910   1.547   0.309  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -5.230   1.355   1.819  0.00  0.00    +0.132 C 
ENDBRANCH   7  15
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.373   2.212  -0.631  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.838   0.748  -0.458  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.577   0.342  -1.621  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.124   0.725  -2.403  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        1.738   0.611   0.797  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        1.876  -0.769   1.321  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        2.651  -0.786   2.578  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        4.152  -0.665   2.412  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.774  -0.998   1.194  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        6.167  -0.909   1.078  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        6.942  -0.515   2.168  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.332  -0.204   3.381  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.941  -1.388  -0.003  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        4.944  -0.281   3.504  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        2.488  -1.716   0.374  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9