REMARK  Name = BDB035131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.455   0.028   0.170  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.918   0.545   0.356  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1        2.059  -0.385  -0.145  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1        1.621  -1.297  -1.201  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        0.460  -2.102  -0.789  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.456  -1.437   0.274  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.669  -2.061  -1.892  0.00  0.00    +0.101 C 
ATOM      8  C   LIG    1        3.645  -1.163  -2.707  0.00  0.00    +0.165 C 
ATOM      9  N   LIG    1        4.841  -0.688  -1.977  0.00  0.00    -0.277 NA
ATOM     10  C   LIG    1        5.293  -1.477  -1.056  0.00  0.00    +0.120 C 
ATOM     11  C   LIG    1        4.694  -2.763  -0.626  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1        3.433  -3.004  -1.001  0.00  0.00    -0.004 C 
BRANCH  10  13
ATOM     13  C   LIG    1        6.580  -1.057  -0.328  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1        7.199   0.022  -0.911  0.00  0.00    -0.308 N 
ATOM     15  H   LIG    1        6.706   0.445  -1.696  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        6.962  -1.646   0.670  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1        8.400   0.623  -0.379  0.00  0.00    +0.132 C 
BRANCH  17  18
ATOM     18  C   LIG    1        8.149   1.459   0.876  0.00  0.00    +0.178 C 
BRANCH  18  19
ATOM     19  O   LIG    1        9.353   2.140   1.231  0.00  0.00    -0.381 OA
ATOM     20  C   LIG    1        9.191   2.902   2.420  0.00  0.00    +0.194 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -1.392   0.681   1.086  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -7.819   0.082   0.363  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -7.322   0.799   1.617  0.00  0.00    +0.217 C 
ATOM     24  O   LIG    1       -8.039   1.391   2.415  0.00  0.00    -0.275 OA
ATOM     25  N   LIG    1       -5.974   0.685   1.842  0.00  0.00    -0.307 N 
ATOM     26  H   LIG    1       -5.656   1.069   2.722  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -5.179  -0.269   1.104  0.00  0.00    +0.121 C 
ATOM     28  C   LIG    1       -5.396  -0.159  -0.428  0.00  0.00    +0.130 C 
ATOM     29  N   LIG    1       -4.455   0.737  -1.128  0.00  0.00    -0.286 NA
ATOM     30  C   LIG    1       -3.313   0.955  -0.580  0.00  0.00    +0.110 C 
ATOM     31  C   LIG    1       -2.831   0.450   0.728  0.00  0.00    -0.018 C 
ATOM     32  C   LIG    1       -3.756  -0.102   1.527  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -6.821   0.324  -0.776  0.00  0.00    +0.041 C 
BRANCH  22  35
ATOM     34  C   LIG    1       -9.454   1.888  -0.501  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1       -9.264   0.463   0.001  0.00  0.00    +0.009 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 8