REMARK  Name = BDB057741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.704  -0.022  -0.585  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -2.030   0.978   0.500  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -3.262   0.825   1.159  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -3.640   1.708   2.175  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -2.793   2.757   2.530  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.579   2.929   1.865  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.114  -0.253   0.723  0.00  0.00    +0.186 A 
ATOM      8  N   LIG    1       -3.694  -1.058  -0.304  0.00  0.00    -0.196 N 
ATOM      9  C   LIG    1       -4.709  -1.962  -0.495  0.00  0.00    +0.152 A 
ATOM     10  N   LIG    1       -5.682  -1.714   0.362  0.00  0.00    -0.132 NA
ATOM     11  C   LIG    1       -4.660  -3.027  -1.516  0.00  0.00    +0.090 C 
ATOM     12  N   LIG    1       -5.306  -0.633   1.132  0.00  0.00    -0.127 NA
ATOM     13  C   LIG    1       -1.198   2.048   0.847  0.00  0.00    +0.011 A 
ATOM     14  N   LIG    1       -2.511  -0.974  -0.979  0.00  0.00    -0.163 NA
ENDROOT
BRANCH   1  20
ATOM     15  C   LIG    1        2.033  -0.061  -1.233  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        2.053   0.103  -2.637  0.00  0.00    -0.029 A 
ATOM     17  C   LIG    1        3.335   0.146  -3.427  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1        0.839   0.227  -3.339  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -0.380   0.199  -2.667  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -0.394   0.049  -1.283  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        0.800  -0.104  -0.571  0.00  0.00    +0.033 A 
BRANCH  15  23
ATOM     22  C   LIG    1        3.469  -0.215   0.828  0.00  0.00    +0.217 C 
ATOM     23  N   LIG    1        3.263  -0.191  -0.544  0.00  0.00    -0.285 N 
ATOM     24  H   LIG    1        4.097  -0.225  -1.115  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        2.615  -0.073   1.694  0.00  0.00    -0.275 OA
BRANCH  22  27
ATOM     26  C   LIG    1        5.194  -0.483   2.658  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        4.938  -0.424   1.162  0.00  0.00    +0.093 C 
ENDBRANCH  22  27
ENDBRANCH  15  23
ENDBRANCH   1  20
TORSDOF 3