REMARK  Name = BDB020930
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.164  -0.947  -1.798  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.371  -0.435  -1.333  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        1.467   0.595  -0.287  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        2.833   0.603   0.423  0.00  0.00    +0.125 C 
ATOM      5  N   LIG    1        3.932   0.664  -0.566  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1        3.877  -0.469  -1.517  0.00  0.00    +0.125 C 
ATOM      7  C   LIG    1        2.521  -0.495  -2.244  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1        0.087  -1.590  -2.845  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.197   0.798   0.038  0.00  0.00    +0.121 A 
ATOM     10  N   LIG    1        5.328   0.653   1.375  0.00  0.00    -0.239 NA
ATOM     11  C   LIG    1        6.557   0.805   1.928  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1        7.697   1.109   1.205  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        7.563   1.274  -0.168  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        6.304   1.121  -0.752  0.00  0.00    +0.045 A 
BRANCH  12  15
ATOM     15  C   LIG    1        8.958   1.255   1.858  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1        9.983   1.371   2.389  0.00  0.00    -0.191 NA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  C   LIG    1       -1.060  -0.709  -0.933  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.320  -1.308  -1.552  0.00  0.00    +0.083 C 
BRANCH  18  26
ATOM     19  C   LIG    1       -5.681   2.294  -0.288  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -5.956   1.107   0.593  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -5.184  -0.062   0.474  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1       -5.475  -1.147   1.313  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1       -4.654  -2.361   1.170  0.00  0.00    +0.259 A 
ATOM     24  N   LIG    1       -3.670  -2.303   0.217  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.120  -3.143   0.106  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -3.457  -1.206  -0.571  0.00  0.00    +0.111 A 
ATOM     27  O   LIG    1       -4.832  -3.359   1.858  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.506  -1.091   2.255  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -7.266   0.070   2.366  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1       -4.144  -0.116  -0.475  0.00  0.00    -0.233 NA
ATOM     31  C   LIG    1       -6.993   1.162   1.540  0.00  0.00    +0.005 A 
ENDBRANCH  18  26
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5