REMARK  Name = BDB061428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.673  -0.125   0.282  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.299   0.462  -0.434  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -1.530   0.250   0.057  0.00  0.00    +0.150 A 
ATOM      4  C   LIG    1       -1.845  -0.495   1.181  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.259  -0.450   1.320  0.00  0.00    +0.104 A 
ATOM      6  C   LIG    1       -3.772   0.309   0.281  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -0.768  -1.067   1.863  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1       -2.699   0.740  -0.472  0.00  0.00    -0.315 N 
ATOM      9  C   LIG    1       -2.789   1.579  -1.647  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1        0.477  -0.868   1.388  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   6  11
ATOM     11  N   LIG    1       -5.040   0.673  -0.079  0.00  0.00    -0.313 N 
ATOM     12  C   LIG    1       -5.988  -0.400  -0.470  0.00  0.00    +0.072 C 
ATOM     13  C   LIG    1       -5.831  -0.761  -1.940  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -7.366   0.195  -0.171  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -7.102   0.989   1.093  0.00  0.00    +0.021 C 
ATOM     16  C   LIG    1       -5.744   1.622   0.814  0.00  0.00    +0.107 C 
ENDBRANCH   6  11
BRANCH   7  17
ATOM     17  N   LIG    1       -0.885  -1.833   3.010  0.00  0.00    -0.342 N 
ATOM     18  H   LIG    1       -1.752  -2.329   3.165  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -0.032  -2.342   3.211  0.00  0.00    +0.144 HD
ENDBRANCH   7  17
BRANCH   1  20
ATOM     20  N   LIG    1        1.963   0.084  -0.218  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        1.872   0.655  -1.047  0.00  0.00    +0.155 HD
BRANCH  20  27
ATOM     22  C   LIG    1        4.673   0.709  -1.620  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1        4.377  -0.062  -0.386  0.00  0.00    +0.058 A 
ATOM     24  N   LIG    1        5.331  -0.668   0.407  0.00  0.00    -0.261 N 
ATOM     25  N   LIG    1        4.797  -1.318   1.465  0.00  0.00    -0.177 NA
ATOM     26  C   LIG    1        3.486  -1.105   1.354  0.00  0.00    +0.158 A 
ATOM     27  C   LIG    1        3.166  -0.333   0.224  0.00  0.00    +0.074 A 
BRANCH  24  28
ATOM     28  C   LIG    1        6.777  -0.716   0.278  0.00  0.00    +0.135 C 
ATOM     29  C   LIG    1        7.269  -1.504  -0.925  0.00  0.00    +0.186 C 
ATOM     30  O   LIG    1        8.272  -0.714  -1.583  0.00  0.00    -0.378 OA
ATOM     31  C   LIG    1        8.104   0.645  -1.180  0.00  0.00    +0.162 C 
ATOM     32  C   LIG    1        7.482   0.626   0.198  0.00  0.00    +0.057 C 
ENDBRANCH  24  28
ENDBRANCH  20  27
ENDBRANCH   1  20
BRANCH   5  33
ATOM     33  C   LIG    1       -4.017  -1.081   2.350  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -4.615  -1.623   3.185  0.00  0.00    -0.191 NA
ENDBRANCH   5  33
TORSDOF 6