REMARK  Name = BDB027536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.188  -2.286  -0.218  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.135  -2.296  -1.564  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.282  -1.312  -2.560  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.738  -1.404  -3.705  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.440  -2.745  -3.490  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.308  -3.027  -2.004  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.404  -2.956   0.625  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        3.342   0.261   1.172  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        2.067   0.308   1.753  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.043  -0.525   1.294  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        1.287  -1.407   0.240  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        2.561  -1.485  -0.326  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.582  -0.647   0.136  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.604   1.318   1.236  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        4.319   1.132   1.695  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        4.021   1.718   2.462  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.120   0.826   0.240  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.306   2.461   3.361  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        6.398   2.293   2.035  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -1.675  -0.293  -3.860  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -1.416   0.395  -4.559  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.170   0.424  -2.794  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -2.348  -0.143  -1.600  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -2.804   0.609  -0.590  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1       -3.113   1.958  -0.755  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -3.592   2.731   0.319  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -3.757   2.149   1.575  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -3.447   0.804   1.757  0.00  0.00    +0.122 A 
ATOM     29  C   LIG    1       -2.905   2.449  -2.033  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -2.976   0.054   0.672  0.00  0.00    +0.074 A 
ATOM     31  N   LIG    1       -2.432   1.709  -3.054  0.00  0.00    -0.222 NA
BRANCH  28  32
ATOM     32  O   LIG    1       -3.551   0.109   2.930  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1       -4.093   0.799   4.048  0.00  0.00    +0.277 C 
ENDBRANCH  28  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6