REMARK  Name = BDB027580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.516  -1.213   2.213  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.597  -1.319   1.404  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.905  -1.599   1.977  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.925  -1.086   0.943  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        2.151  -1.261  -0.367  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.722  -0.895   0.017  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.497  -1.415   3.424  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -6.196   1.496   0.148  0.00  0.00    +0.243 C 
ATOM      9  N   LIG    1       -5.494   0.337  -0.219  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -4.259  -0.060   0.422  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -3.658  -1.301   0.102  0.00  0.00    -0.025 A 
ATOM     12  C   LIG    1       -2.430  -1.673   0.682  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -1.794  -0.824   1.585  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -2.380   0.387   1.932  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.274  -2.255  -0.886  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -5.761  -2.010  -1.013  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -3.592   0.766   1.344  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -6.000  -0.537  -1.286  0.00  0.00    +0.114 C 
ATOM     19  O   LIG    1       -6.103   2.089   1.220  0.00  0.00    -0.270 OA
BRANCH   8  21
ATOM     20  C   LIG    1       -8.156   2.830  -0.533  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1       -7.131   2.043  -0.886  0.00  0.00    +0.060 C 
ENDBRANCH   8  21
ENDBRANCH   1  13
BRANCH   4  22
ATOM     22  N   LIG    1        3.224   0.330   1.161  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1        3.159   0.654   2.121  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.464   0.754   0.707  0.00  0.00    +0.216 A 
ATOM     25  N   LIG    1        5.007   0.213  -0.393  0.00  0.00    -0.215 NA
ATOM     26  C   LIG    1        6.202   0.667  -0.794  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1        6.891   1.666  -0.105  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        8.148   2.126  -0.546  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        8.722   1.581  -1.690  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.046   0.585  -2.387  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        6.245   2.147   1.020  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        6.798   0.140  -1.934  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1        5.045   1.707   1.442  0.00  0.00    -0.222 NA
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 4