REMARK  Name = BDB045773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.722   0.565   0.147  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -1.964   1.536  -0.023  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.984   0.711  -0.467  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -6.778   0.222   0.573  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -6.202  -0.319   1.722  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -4.824  -0.383   1.877  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1       -4.007   0.118   0.858  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -2.625   0.028   1.106  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1       -2.140  -0.531   2.229  0.00  0.00    -0.199 NA
ATOM     10  C   LIG    1       -3.014  -0.995   3.116  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1       -4.337  -0.921   2.997  0.00  0.00    -0.214 NA
ATOM     12  C   LIG    1       -4.599   0.657  -0.318  0.00  0.00    +0.062 A 
BRANCH  10  13
ATOM     13  N   LIG    1       -2.508  -1.549   4.274  0.00  0.00    -0.327 N 
ATOM     14  H   LIG    1       -1.582  -1.183   4.446  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.186  -1.467   5.018  0.00  0.00    +0.145 HD
ENDBRANCH  10  13
BRANCH   3  17
ATOM     16  C   LIG    1       -5.864   1.606  -2.675  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -6.644   1.212  -1.555  0.00  0.00    -0.491 OA
ENDBRANCH   3  17
BRANCH   4  18
ATOM     18  O   LIG    1       -8.141   0.270   0.453  0.00  0.00    -0.503 OA
ATOM     19  H   LIG    1       -8.550  -0.128   1.237  0.00  0.00    +0.292 HD
ENDBRANCH   4  18
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -0.328   0.361   0.047  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        0.454   1.310  -0.625  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        1.831   1.123  -0.810  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.455  -0.032  -0.347  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        1.676  -1.004   0.288  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        0.300  -0.813   0.470  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  N   LIG    1        3.831  -0.302  -0.495  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1        4.147  -1.181  -0.108  0.00  0.00    +0.155 HD
ATOM     28  C   LIG    1        4.798   0.536  -1.021  0.00  0.00    +0.248 C 
ATOM     29  O   LIG    1        4.647   1.694  -1.392  0.00  0.00    -0.270 OA
BRANCH  28  30
ATOM     30  C   LIG    1        6.165  -0.054  -1.089  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        6.370  -1.404  -1.407  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        7.668  -1.917  -1.461  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        8.760  -1.087  -1.206  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        8.560   0.261  -0.907  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        7.266   0.779  -0.853  0.00  0.00    +0.013 A 
ENDBRANCH  28  30
ENDBRANCH  23  26
ENDBRANCH   1  20
TORSDOF 7