REMARK  Name = BDB016488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.365  -0.248   4.143  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1        0.153  -0.505   3.307  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.166  -0.475   1.918  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -0.936  -0.745   1.197  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.074  -1.015   1.863  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -2.185  -1.058   3.201  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -1.063  -0.799   3.891  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.273  -1.352   1.075  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.764  -0.567  -0.003  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -4.890  -1.025  -0.722  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -5.546  -2.206  -0.377  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.091  -2.960   0.694  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.970  -2.536   1.407  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -3.121   0.758  -0.407  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.136   1.907  -0.484  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -2.368   0.615  -1.732  0.00  0.00    +0.012 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        1.374  -0.203   1.252  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        1.784   0.651   1.617  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.275  -0.163  -0.201  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.633   0.183  -0.773  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.853   1.413  -1.410  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.112   1.727  -1.934  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        5.169   0.816  -1.819  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.951  -0.417  -1.194  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        3.695  -0.729  -0.671  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        6.524   1.102  -2.361  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1        7.325   0.208  -2.603  0.00  0.00    -0.270 OA
ATOM     28  N   LIG    1        6.868   2.413  -2.546  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        6.370   3.166  -2.093  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        7.837   2.580  -2.788  0.00  0.00    +0.145 HD
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6