REMARK  Name = BDB043212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.031  -0.636   0.080  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.061  -1.412   0.090  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.266  -0.826   0.194  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.368   0.545   0.325  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -0.208   1.285   0.302  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        0.992   0.696   0.177  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.430  -1.624   0.220  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.148  -3.076   0.239  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.460  -3.880   0.383  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.440  -3.565  -0.681  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.679  -4.312  -0.478  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.701  -2.109  -0.677  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -3.412  -1.265  -0.828  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        2.231  -1.332  -0.045  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        2.022  -2.318  -0.103  0.00  0.00    +0.155 HD
BRANCH  14  19
ATOM     16  C   LIG    1        6.345  -0.345  -0.222  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        5.393   0.664  -0.084  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        4.027   0.360  -0.023  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.577  -0.959  -0.098  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        4.547  -1.964  -0.238  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        5.916  -1.666  -0.299  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1        8.645  -0.907  -0.409  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        7.640   0.089  -0.269  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  14  19
ENDBRANCH   1  14
BRANCH   5  24
ATOM     24  N   LIG    1       -0.165   2.677   0.408  0.00  0.00    -0.283 N 
ATOM     25  H   LIG    1        0.809   2.955   0.380  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -1.125   3.619   0.498  0.00  0.00    +0.146 A 
ATOM     27  N   LIG    1       -2.450   3.452   0.497  0.00  0.00    -0.158 NA
ATOM     28  N   LIG    1       -2.949   4.691   0.609  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1       -3.958   4.799   0.634  0.00  0.00    +0.189 HD
ATOM     30  C   LIG    1       -1.995   5.665   0.674  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1       -2.329   7.099   0.796  0.00  0.00    +0.065 C 
ATOM     32  C   LIG    1       -0.795   4.994   0.603  0.00  0.00    +0.068 A 
ENDBRANCH  24  26
ENDBRANCH   5  24
TORSDOF 6