REMARK  Name = BDB039662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.399   1.730   0.372  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.807   2.514   0.652  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1       -1.988   1.517   0.965  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -2.606   2.728   1.693  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1       -2.474   1.058  -0.307  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1       -1.365   0.694  -1.242  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -1.112   3.107   2.033  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        0.007   0.564  -0.480  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.777   0.641  -0.606  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.224   0.384  -1.906  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -5.477  -0.011  -2.254  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1       -6.373  -0.153  -1.251  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -6.043   0.083   0.078  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -4.742   0.483   0.392  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.780  -0.576  -1.575  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -8.203  -0.805  -2.865  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -9.173  -1.089  -2.919  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -7.443  -0.744  -4.090  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -8.599  -0.723  -0.665  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1        1.194   1.355   1.539  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.609  -2.067   0.333  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        5.649  -2.954   1.071  0.00  0.00    +0.252 A 
ATOM     23  O   LIG    1        5.918  -4.121   1.339  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        4.445  -2.405   1.434  0.00  0.00    -0.321 N 
ATOM     25  H   LIG    1        3.814  -3.018   1.933  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.080  -1.089   1.131  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1        4.961  -0.268   0.430  0.00  0.00    +0.088 A 
ATOM     28  N   LIG    1        4.688   1.008   0.089  0.00  0.00    -0.253 NA
ATOM     29  C   LIG    1        3.475   1.480   0.463  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.522   0.740   1.167  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        2.844  -0.579   1.508  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.258  -0.804   0.032  0.00  0.00    +0.038 A 
BRANCH  21  34
ATOM     33  C   LIG    1        8.905  -2.757   1.089  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        7.926  -2.667  -0.074  0.00  0.00    +0.037 C 
ENDBRANCH  21  34
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5