REMARK  Name = BDB007538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.753  -2.188  -1.193  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.463  -1.033  -1.486  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.705  -0.701  -2.130  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.878   0.257  -2.403  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.372   0.088  -1.137  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -2.752  -0.158  -1.115  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.667   0.843  -0.760  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.157   2.114  -0.471  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -1.781   2.368  -0.478  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.884   1.354  -0.802  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.023   0.553  -0.820  0.00  0.00    -0.339 N 
ATOM     12  H   LIG    1       -5.245  -0.442  -0.804  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -6.063   1.384  -0.197  0.00  0.00    +0.096 C 
ATOM     14  C   LIG    1       -7.438   0.894  -0.694  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1       -7.745  -0.444  -0.281  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -7.380  -0.771   1.059  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1       -7.104   0.440   1.935  0.00  0.00    +0.030 C 
ATOM     18  C   LIG    1       -5.992   1.301   1.337  0.00  0.00    +0.027 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        1.696  -1.691  -2.531  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.461  -2.349  -1.363  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.659  -3.345  -0.713  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.723  -3.046  -0.759  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.982  -1.349  -0.305  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.810  -0.245  -0.834  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.086   0.760   0.213  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.163   0.380   1.207  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.132  -0.589   0.889  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.138  -0.897   1.815  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.199  -0.230   3.038  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.254   0.745   3.348  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.054  -1.342  -0.415  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.243   1.052   2.436  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        5.088  -0.690  -1.416  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8