REMARK  Name = BDB029600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.844   0.488   0.298  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.344  -0.459  -0.321  0.00  0.00    +0.252 C 
ATOM      3  N   LIG    1        0.552  -1.567  -0.638  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.839  -2.548  -1.685  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        2.292  -2.950  -1.803  0.00  0.00    +0.249 C 
ATOM      6  O   LIG    1        2.974  -1.909  -2.484  0.00  0.00    -0.474 OA
ATOM      7  C   LIG    1        3.508  -1.020  -1.607  0.00  0.00    +0.227 A 
ATOM      8  N   LIG    1        4.829  -0.828  -1.835  0.00  0.00    -0.219 NA
ATOM      9  C   LIG    1        5.483   0.061  -1.053  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        4.892   0.793  -0.035  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        3.527   0.564   0.165  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1        2.796  -0.350  -0.625  0.00  0.00    +0.100 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        5.573   1.681   0.811  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        4.979   2.387   1.236  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1        6.925   1.767   1.185  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        7.823   0.709   1.136  0.00  0.00    +0.158 A 
ATOM     17  N   LIG    1        9.133   0.819   1.459  0.00  0.00    -0.156 NA
ATOM     18  N   LIG    1        9.621   2.021   1.849  0.00  0.00    -0.158 NA
ATOM     19  C   LIG    1        8.789   3.078   1.906  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1        7.447   2.995   1.583  0.00  0.00    +0.046 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1       -0.855  -1.537  -0.174  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.773  -0.657  -1.054  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.613   0.740  -0.784  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -0.737   0.859  -0.356  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.266  -1.051  -0.915  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.736  -1.292   0.466  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -3.890  -0.045   1.245  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -5.120   0.775   0.913  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.248   0.179   0.320  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.389   0.951   0.065  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -7.419   2.301   0.413  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.309   2.891   1.012  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.205  -1.266  -0.105  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -5.166   2.131   1.264  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.014  -2.027   0.497  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7