REMARK  Name = BDB029563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.200  -1.095   1.667  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.844  -0.528   0.639  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        0.448  -0.613   0.132  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.764  -0.112  -1.202  0.00  0.00    +0.114 C 
ATOM      5  C   LIG    1        0.093   1.225  -1.469  0.00  0.00    +0.075 C 
ATOM      6  C   LIG    1       -1.371   1.125  -1.155  0.00  0.00    +0.055 A 
ATOM      7  N   LIG    1       -2.213   1.913  -1.864  0.00  0.00    -0.257 NA
ATOM      8  C   LIG    1       -3.528   1.851  -1.531  0.00  0.00    +0.134 A 
ATOM      9  C   LIG    1       -4.085   1.031  -0.542  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.174   0.270   0.190  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -1.809   0.299  -0.125  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -5.449   1.112  -0.258  0.00  0.00    -0.340 N 
ATOM     13  H   LIG    1       -5.995   1.420  -1.060  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -6.140   0.111   0.565  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1       -7.502   0.674   1.001  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -8.610   0.186   0.082  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1       -8.735  -1.236   0.076  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1       -7.521  -1.958   0.282  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1       -6.298  -1.204  -0.211  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  20
ATOM     20  C   LIG    1        1.413  -1.493   0.786  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.002  -0.907   2.083  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.812  -1.886   2.749  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        2.213  -2.606   3.015  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        2.809   0.398   1.866  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        3.812   0.393   0.776  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        4.905  -0.563   1.055  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        6.071  -0.460   0.088  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        6.264   0.689  -0.698  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        7.362   0.764  -1.565  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.279  -0.285  -1.633  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.102  -1.416  -0.841  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.258   1.807  -0.648  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        7.006  -1.503   0.018  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.376   1.743   0.605  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7