REMARK  Name = BDB012261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.233  -0.042  -2.358  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.410  -0.130  -1.148  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.385  -0.115  -0.224  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.629   0.001   0.752  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.995   0.133  -0.623  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.970  -0.443   0.418  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        2.377   0.598   1.460  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1        3.072   1.819   0.826  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        2.659   2.049  -0.638  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        1.211   1.636  -0.877  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1        4.556   1.731   0.947  0.00  0.00    +0.221 A 
ATOM     12  O   LIG    1        5.184   0.658   0.371  0.00  0.00    -0.420 OA
ATOM     13  C   LIG    1        6.497   0.906   0.679  0.00  0.00    +0.248 A 
ATOM     14  N   LIG    1        6.650   2.015   1.375  0.00  0.00    -0.107 NA
ATOM     15  N   LIG    1        5.391   2.550   1.548  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1        7.489  -0.053   0.216  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        7.135  -1.182  -0.529  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        8.136  -2.050  -0.935  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        9.442  -1.871  -0.651  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        9.766  -0.776   0.068  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        8.839   0.148   0.517  0.00  0.00    +0.033 A 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -2.772  -0.301  -0.514  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.893  -0.156  -1.536  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.209  -0.495  -0.889  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -5.632  -1.789  -1.030  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -5.105  -2.455  -1.577  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -6.798  -2.262  -0.486  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -7.161  -3.423  -0.632  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.581  -1.284   0.287  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -7.068   0.013   0.388  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -7.792   0.961   1.115  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -9.002   0.617   1.726  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.500  -0.682   1.615  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -8.790  -1.640   0.893  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -5.855   0.396  -0.210  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6