REMARK  Name = BDB012166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.598  -0.247   0.829  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1       -1.046  -0.916   2.099  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -0.213   0.050   2.935  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.918   0.568   2.163  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        2.138   0.753   2.808  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        2.286   0.541   4.011  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.701   0.814   0.737  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -0.774   0.977   0.398  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -5.091   0.255   0.524  0.00  0.00    +0.248 A 
ATOM     10  O   LIG    1       -3.914  -0.272   0.053  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1       -3.025   0.142   1.008  0.00  0.00    +0.221 A 
ATOM     12  N   LIG    1       -3.587   0.851   1.963  0.00  0.00    -0.112 NA
ATOM     13  N   LIG    1       -4.928   0.923   1.649  0.00  0.00    -0.107 NA
BRANCH   9  17
ATOM     14  C   LIG    1       -8.665  -0.436  -1.734  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1       -8.693   0.313  -0.556  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -7.523   0.534   0.176  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -6.298   0.010  -0.256  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -6.278  -0.741  -1.441  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -7.452  -0.963  -2.175  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -9.904  -1.335  -3.553  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -9.877  -0.576  -2.351  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   9  17
ENDBRANCH   1  11
BRANCH   5  22
ATOM     22  C   LIG    1        3.295   1.237   1.944  0.00  0.00    +0.096 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.619   1.263   2.714  0.00  0.00    +0.017 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.775   1.792   1.867  0.00  0.00    +0.075 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.129   0.845   0.747  0.00  0.00    +0.110 A 
ATOM     26  N   LIG    1        6.822  -0.279   1.106  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1        7.087  -0.443   2.067  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1        7.202  -1.246   0.211  0.00  0.00    +0.259 A 
ATOM     29  O   LIG    1        7.821  -2.246   0.554  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1        6.813  -1.004  -1.188  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1        6.104   0.169  -1.464  0.00  0.00    +0.078 A 
ATOM     32  C   LIG    1        5.725   0.423  -2.784  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        6.049  -0.477  -3.804  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        6.757  -1.644  -3.511  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        7.143  -1.912  -2.199  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1        5.757   1.096  -0.466  0.00  0.00    -0.234 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 7