REMARK  Name = BDB025086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.387  -2.220   2.542  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.077  -1.216   1.615  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.207  -0.394   1.159  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.792  -0.928  -0.152  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.814   1.077   1.095  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        3.650   1.288   0.148  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.566   0.261   0.330  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.296   0.488  -0.250  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.859   1.583  -0.949  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -0.394   1.339  -1.284  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1       -0.774   0.078  -0.862  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.293  -0.463  -0.164  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.485  -1.673   0.502  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        1.743  -1.895   1.080  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.785  -0.955   1.029  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.535  -2.580   2.789  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.030  -0.627  -1.111  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -3.247   0.036  -0.451  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -4.517  -0.825  -0.583  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.610  -1.563  -1.927  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -3.726  -0.942  -3.002  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -2.252  -0.959  -2.599  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.607  -1.832   0.552  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -3.648  -2.272   1.166  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.870  -2.235   0.805  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -6.548  -1.820   0.240  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        3.632  -3.679   4.222  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        3.313  -2.713   3.220  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.238   2.327  -2.025  0.00  0.00    +0.131 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.876   3.370  -1.138  0.00  0.00    +0.067 A 
ATOM     31  N   LIG    1       -3.210   3.592  -1.290  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1       -3.741   4.545  -0.486  0.00  0.00    +0.151 A 
ATOM     33  C   LIG    1       -2.981   5.258   0.424  0.00  0.00    +0.147 A 
ATOM     34 CL   LIG    1       -3.673   6.444   1.443  0.00  0.00    -0.060 Cl
ATOM     35  N   LIG    1       -1.657   5.064   0.577  0.00  0.00    -0.240 NA
ATOM     36  C   LIG    1       -1.122   4.111  -0.224  0.00  0.00    +0.136 A 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6