REMARK  Name = BDB039242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.153   0.690   0.296  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        5.043  -0.071  -0.023  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.736   0.482   0.310  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.568  -0.243  -0.309  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.742  -1.413  -1.085  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.641  -2.060  -1.662  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.337  -1.592  -1.474  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.173  -0.444  -0.690  0.00  0.00    +0.070 A 
ATOM      9  N   LIG    1       -0.936   0.290  -0.299  0.00  0.00    -0.320 N 
ATOM     10  C   LIG    1       -0.492   1.324   0.508  0.00  0.00    +0.142 A 
ATOM     11  N   LIG    1        0.822   1.298   0.611  0.00  0.00    -0.227 NA
ATOM     12  C   LIG    1        4.133  -1.936  -1.343  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.250   0.219  -0.114  0.00  0.00    +0.095 A 
ATOM     14  C   LIG    1        5.110  -1.509  -0.252  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        6.099   1.847   0.698  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -1.318   2.330   1.164  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -1.487   3.586   0.581  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1       -2.267   4.517   1.246  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -2.866   4.282   2.432  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1       -2.648   3.075   2.997  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -1.887   2.079   2.412  0.00  0.00    +0.031 A 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        8.490   0.774   0.427  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.322   0.015   0.115  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -2.312  -0.033  -0.691  0.00  0.00    +0.091 C 
ATOM     25  C   LIG    1       -3.041   1.134  -1.366  0.00  0.00    +0.031 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.103  -0.649   0.479  0.00  0.00    +0.060 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.313  -1.434   0.027  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1       -4.169  -2.745  -0.448  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.284  -3.465  -0.881  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.549  -2.883  -0.844  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.702  -1.580  -0.372  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.590  -0.858   0.062  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   9  24
TORSDOF 5