REMARK  Name = BDB029582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.834  -1.945   0.737  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.417  -0.782   0.758  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.057  -0.549   0.928  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.560   0.767   0.891  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -0.139   1.704   1.852  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -1.176   2.405   1.189  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1       -2.256   1.697   0.753  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.323   2.562   0.453  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.552   2.088  -0.006  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -4.752   0.727  -0.193  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -3.681  -0.132   0.095  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -2.417   0.321   0.559  0.00  0.00    +0.080 A 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1       -5.975   0.181  -0.615  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1       -5.895  -0.749  -1.015  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -7.301   0.621  -0.459  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1       -8.289   0.204  -1.347  0.00  0.00    +0.158 A 
ATOM     17  N   LIG    1       -9.579   0.608  -1.288  0.00  0.00    -0.156 NA
ATOM     18  N   LIG    1       -9.952   1.478  -0.321  0.00  0.00    -0.158 NA
ATOM     19  C   LIG    1       -9.029   1.918   0.557  0.00  0.00    +0.137 A 
ATOM     20  C   LIG    1       -7.704   1.523   0.518  0.00  0.00    +0.046 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
BRANCH   3  21
ATOM     21  C   LIG    1        0.841  -1.708   0.955  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.110  -2.345  -0.423  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        1.811  -3.589  -0.265  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        1.215  -4.182   0.227  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        1.876  -1.433  -1.412  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.075  -0.738  -0.889  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        4.136  -1.701  -0.523  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        5.462  -1.047  -0.180  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.753   0.266  -0.590  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        6.995   0.835  -0.278  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.955   0.096   0.413  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.679  -1.212   0.802  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        4.706   1.075  -1.308  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        6.441  -1.782   0.505  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        3.596   0.198  -1.901  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7