REMARK  Name = BDB029710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.577  -1.206   2.013  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.468  -0.170   1.936  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -1.742  -0.601   2.703  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -2.306  -1.898   2.303  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.325  -2.768   1.639  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.113  -2.595   2.184  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        4.620  -0.218   1.628  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        3.691   0.670   1.208  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        2.389   0.304   1.351  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        1.919  -0.898   1.893  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        2.927  -1.771   2.318  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        4.279  -1.439   2.194  0.00  0.00    +0.035 A 
BRANCH   7  14
ATOM     13  O   LIG    1        6.910  -0.486   2.173  0.00  0.00    -0.269 OA
ATOM     14  C   LIG    1        6.074   0.137   1.514  0.00  0.00    +0.263 C 
ATOM     15  N   LIG    1        6.510   1.143   0.674  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        7.514   1.273   0.696  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1        5.752   1.892  -0.271  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        6.380   2.318  -1.572  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        5.296   1.282  -1.568  0.00  0.00    +0.024 C 
ENDBRANCH  15  17
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1       -3.629  -1.864   1.681  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.741  -1.143   0.358  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -4.066   0.221   0.293  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -4.158   0.836  -0.949  0.00  0.00    +0.072 A 
ATOM     24  N   LIG    1       -4.474   2.216  -1.065  0.00  0.00    -0.320 N 
ATOM     25  H   LIG    1       -4.642   2.771  -0.237  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.580   2.897  -2.276  0.00  0.00    +0.260 A 
ATOM     27  C   LIG    1       -4.344   2.097  -3.462  0.00  0.00    +0.086 A 
ATOM     28  C   LIG    1       -4.038   0.762  -3.341  0.00  0.00    +0.167 A 
ATOM     29  O   LIG    1       -3.852   0.177  -4.547  0.00  0.00    -0.461 OA
ATOM     30  C   LIG    1       -4.042   1.167  -5.468  0.00  0.00    +0.196 A 
ATOM     31  C   LIG    1       -4.347   2.365  -4.850  0.00  0.00    +0.055 A 
ATOM     32  O   LIG    1       -4.853   4.092  -2.314  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1       -3.927   0.052  -2.092  0.00  0.00    +0.130 A 
ATOM     34  N   LIG    1       -3.626  -1.261  -2.076  0.00  0.00    -0.249 NA
ATOM     35  C   LIG    1       -3.546  -1.825  -0.848  0.00  0.00    +0.116 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5