REMARK  Name = BDB021167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.090  -0.048  -0.448  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.229   0.616   0.470  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.129   0.436   0.290  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.764   1.202   1.235  0.00  0.00    +0.131 A 
ATOM      5  CA  LIG    1        0.239   1.784   1.980  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1       -0.659  -0.370  -0.734  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.140  -0.943  -1.592  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.482   1.409   1.495  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1        1.498  -0.763  -1.429  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.283   0.439  -0.452  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        5.497   1.496  -0.731  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        4.162   1.276  -0.705  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.562   0.048  -0.420  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.408  -1.032  -0.110  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1        3.884  -2.397   0.235  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        5.794  -0.822  -0.143  0.00  0.00    +0.071 A 
BRANCH  10  18
ATOM     17  C   LIG    1        8.084   1.895  -0.775  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        7.657   0.574  -0.461  0.00  0.00    -0.480 OA
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  C   LIG    1        0.101   2.683   3.117  0.00  0.00    +0.357 C 
ATOM     20  O   LIG    1       -0.966   3.047   3.588  0.00  0.00    -0.243 OA
BRANCH  19  21
ATOM     21  OXT LIG    1        1.308   3.074   3.603  0.00  0.00    -0.476 OA
ATOM     22  HXT LIG    1        2.003   2.644   3.051  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   6  23
ATOM     23  N   LIG    1       -2.021  -0.541  -0.863  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -2.182  -0.973  -1.774  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.736  -1.338   0.132  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.178  -1.466  -0.263  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.062  -0.391  -0.240  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.828   1.035   0.093  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.277   1.516   0.174  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.117   0.614  -0.583  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.384  -0.542  -0.641  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -6.890  -1.751  -1.076  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.027  -2.846  -1.096  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -4.693  -2.697  -0.693  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -3.892  -3.771  -0.737  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 7