REMARK  Name = BDB029553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.002   0.226  -2.067  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.061   0.225  -0.841  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -0.068   0.085  -0.028  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.016   0.434   1.386  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        1.269  -0.137   2.040  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.483   0.211   1.229  0.00  0.00    -0.034 A 
ATOM      7  C   LIG    1        3.741   0.311   1.825  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        4.872   0.598   1.049  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.786   0.804  -0.330  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        3.521   0.652  -0.920  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1        2.378   0.371  -0.156  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        5.870   1.029  -1.166  0.00  0.00    -0.339 N 
ATOM     13  H   LIG    1        5.592   1.427  -2.061  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1        7.229   1.411  -0.788  0.00  0.00    +0.098 C 
ATOM     15  C   LIG    1        7.364   2.651   0.082  0.00  0.00    +0.182 C 
ATOM     16  O   LIG    1        8.561   2.459   0.848  0.00  0.00    -0.378 OA
ATOM     17  C   LIG    1        8.690   1.053   1.078  0.00  0.00    +0.162 C 
ATOM     18  C   LIG    1        8.017   0.331  -0.074  0.00  0.00    +0.052 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  19
ATOM     19  C   LIG    1       -1.390   0.146  -0.671  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.730  -1.166  -1.401  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.690  -2.266  -0.476  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.813  -2.200  -0.054  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.095  -1.108  -2.126  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.244  -0.607  -1.336  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.578  -1.533  -0.232  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.883  -1.209   0.472  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.850  -0.386  -0.130  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.054  -0.122   0.536  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.311  -0.695   1.781  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.365  -1.530   2.372  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.560   0.257  -1.460  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.159  -1.788   1.720  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.420  -0.444  -2.208  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7