REMARK  Name = BDB012177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.452   0.546  -0.325  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.589   0.657   0.549  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.770   0.621   0.267  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -1.814   0.752   1.283  0.00  0.00    +0.110 C 
ATOM      5  C   LIG    1       -3.203   0.924   0.685  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.529  -0.215  -0.290  0.00  0.00    +0.097 C 
ATOM      7  C   LIG    1       -2.342  -0.569  -1.207  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -1.210   0.448  -1.119  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1       -4.733   0.082  -1.044  0.00  0.00    -0.274 N 
ATOM     10  C   LIG    1       -5.976  -0.509  -0.791  0.00  0.00    +0.161 A 
ATOM     11  C   LIG    1       -6.896   0.078  -1.656  0.00  0.00    +0.086 A 
ATOM     12  C   LIG    1       -8.215  -0.300  -1.646  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -8.562  -1.291  -0.727  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -7.574  -1.827   0.113  0.00  0.00    +0.113 A 
ATOM     15  N   LIG    1       -6.243   1.030  -2.426  0.00  0.00    -0.305 N 
ATOM     16  H   LIG    1       -6.638   1.634  -3.128  0.00  0.00    +0.170 HD
ATOM     17  N   LIG    1       -6.269  -1.456   0.108  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -4.894   1.058  -2.042  0.00  0.00    +0.329 A 
ATOM     19  O   LIG    1       -4.046   1.804  -2.501  0.00  0.00    -0.246 OA
ENDBRANCH   6   9
BRANCH   2  20
ATOM     20  C   LIG    1        0.980   0.817   2.014  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.497   0.811   2.228  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.132  -0.557   1.955  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.349  -0.440   1.065  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1        4.111  -0.089  -0.237  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        3.160   0.117  -0.547  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        5.106   0.071  -1.167  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        4.889   0.406  -2.326  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        6.472  -0.185  -0.679  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        6.622  -0.543   0.663  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        7.908  -0.788   1.149  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        9.020  -0.677   0.308  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.855  -0.319  -1.030  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.577  -0.070  -1.530  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        5.530  -0.665   1.541  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 5