REMARK  Name = BDB014612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.525  -0.594  -0.486  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        2.242  -0.294   0.669  0.00  0.00    +0.215 C 
ATOM      3  N   LIG    1        0.980   0.082   1.067  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        0.742   0.033   2.049  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.143   0.065   0.138  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.693  -1.356  -0.056  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.188  -1.852   1.199  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.552  -2.737   1.027  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -1.769  -1.423  -1.171  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.886  -0.464  -1.065  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.678  -0.410  -2.311  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.014  -1.113  -2.262  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.790  -0.982  -1.098  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -7.074  -1.526  -1.039  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.581  -2.218  -2.139  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.813  -2.357  -3.296  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.166  -0.237   0.051  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.535  -1.799  -3.363  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.693  -0.666   0.157  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.235  -0.352   1.809  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.674  -0.391   1.310  0.00  0.00    +0.132 C 
BRANCH  21  22
ATOM     22  N   LIG    1        5.158   0.913   0.898  0.00  0.00    -0.330 N 
ATOM     23  C   LIG    1        5.710   1.874   1.712  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        6.026   2.912   0.837  0.00  0.00    +0.089 A 
ATOM     25  C   LIG    1        6.617   4.081   1.339  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        6.875   4.171   2.712  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.550   3.119   3.569  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1        5.683   2.593  -0.454  0.00  0.00    -0.236 NA
ATOM     29  C   LIG    1        5.960   1.944   3.088  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        5.163   1.388  -0.384  0.00  0.00    +0.200 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8