REMARK  Name = BDB029287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.291   0.625   0.738  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.765  -0.287   0.839  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.812  -0.137   1.776  0.00  0.00    -0.039 A 
ATOM      4  C   LIG    1       -1.749   0.995   2.610  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.694   1.906   2.535  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.326   1.717   1.606  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.437  -0.381  -1.252  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1        1.332   0.508  -0.198  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        2.105   1.168  -0.129  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.611  -1.218  -1.597  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1        4.486  -1.569  -5.003  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        4.133  -0.789  -3.773  0.00  0.00    +0.042 A 
ATOM     13  N   LIG    1        5.032   0.114  -3.328  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1        4.738   0.832  -2.224  0.00  0.00    +0.133 A 
ATOM     15  N   LIG    1        3.579   0.703  -1.555  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1        2.715  -0.229  -2.023  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        2.937  -1.006  -3.134  0.00  0.00    +0.056 A 
BRANCH  14  18
ATOM     18  C   LIG    1        5.763   1.819  -1.723  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        6.033   1.970  -0.242  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        7.053   1.309  -1.119  0.00  0.00    +0.012 C 
ENDBRANCH  14  18
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.021  -1.199   1.862  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -2.581  -2.709   1.888  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -3.692  -2.984   2.928  0.00  0.00    +0.093 C 
ATOM     24  C   LIG    1       -3.626  -1.484   3.287  0.00  0.00    +0.030 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.339  -3.910   3.980  0.00  0.00    +0.066 C 
ATOM     26  N   LIG    1       -3.043  -4.668   4.807  0.00  0.00    -0.196 NA
ENDBRANCH  23  25
BRANCH  21  27
ATOM     27  C   LIG    1       -4.050  -0.920   0.740  0.00  0.00    +0.088 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.689   0.420   0.853  0.00  0.00    +0.134 A 
ATOM     29  N   LIG    1       -4.484   1.477   0.005  0.00  0.00    -0.320 N 
ATOM     30  C   LIG    1       -3.645   1.523  -1.163  0.00  0.00    +0.151 C 
ATOM     31  C   LIG    1       -5.259   2.493   0.469  0.00  0.00    +0.224 A 
ATOM     32  N   LIG    1       -5.897   2.100   1.546  0.00  0.00    -0.138 NA
ATOM     33  N   LIG    1       -5.552   0.791   1.778  0.00  0.00    -0.135 NA
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH   3  21
TORSDOF 7