REMARK  Name = BDB026488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.595  -1.870  -0.524  0.00  0.00    -0.219 N 
ATOM      2  C   LIG    1        2.348  -1.489  -0.919  0.00  0.00    +0.312 C 
ATOM      3  O   LIG    1        2.073  -0.760  -1.860  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        1.429  -2.057  -0.056  0.00  0.00    -0.274 N 
ATOM      5  C   LIG    1        2.082  -2.716   1.053  0.00  0.00    +0.205 C 
ATOM      6  C   LIG    1        3.534  -2.615   0.619  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        4.473  -3.121   1.218  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        4.817  -1.466  -1.182  0.00  0.00    +0.173 C 
BRANCH   8  12
ATOM      9  C   LIG    1        6.107   2.386   0.149  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.573   1.199   0.691  0.00  0.00    +0.130 A 
ATOM     11  N   LIG    1        6.180  -0.027   0.270  0.00  0.00    -0.257 NA
ATOM     12  C   LIG    1        5.277  -0.090  -0.741  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        4.757   1.058  -1.338  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        5.179   2.309  -0.887  0.00  0.00    +0.022 A 
BRANCH   9  16
ATOM     15  N   LIG    1        6.942   4.665   1.046  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        6.567   3.642   0.646  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   8  12
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  C   LIG    1        0.013  -1.714  -0.039  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.272  -0.433   0.759  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -0.221  -0.732   2.166  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -1.135  -1.001   2.392  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -1.648   0.199   0.445  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.756  -0.601   1.019  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.804   0.264   1.606  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.677   0.977   0.599  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -4.872   0.444  -0.687  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -5.721   1.099  -1.589  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.386   2.265  -1.212  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.207   2.786   0.066  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.130  -0.795  -1.118  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.361   2.144   0.970  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.398  -1.499   0.038  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8