REMARK  Name = BDB029678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.843  -0.178   0.876  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.939  -0.054  -0.283  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.535  -1.442  -0.829  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.068  -2.338   0.173  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.077  -1.841   1.550  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.485  -1.260   1.830  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.926   0.651   0.572  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.223   0.509  -0.583  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.898   0.240  -0.445  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.208   0.090   0.765  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        3.996   0.253   1.915  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.361   0.532   1.830  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.199   1.242  -1.222  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.814   1.085  -0.874  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.120   0.879  -1.589  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.389   0.948   0.431  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.122   1.043   1.408  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.387  -2.873  -0.161  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.538  -1.899  -0.134  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -2.917  -1.166  -1.263  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -3.987  -0.279  -1.175  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -4.663  -0.141   0.035  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1       -5.799   0.804   0.132  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -6.165   1.513  -0.962  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -5.423   1.349  -2.261  0.00  0.00    +0.252 A 
ATOM     26  O   LIG    1       -5.730   1.980  -3.268  0.00  0.00    -0.268 OA
ATOM     27  C   LIG    1       -7.291   2.504  -1.049  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1       -6.451   0.883   1.486  0.00  0.00    +0.046 C 
ATOM     29  N   LIG    1       -4.324  -0.847   1.138  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -4.382   0.465  -2.286  0.00  0.00    -0.321 N 
ATOM     31  H   LIG    1       -3.905   0.373  -3.172  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -3.282  -1.703   1.028  0.00  0.00    +0.116 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4