REMARK  Name = BDB022175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.039   1.682  -0.348  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1        1.072   1.492   0.796  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1        0.516   1.838   2.206  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        0.883   1.237   3.220  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -0.338   2.915   2.315  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -0.600   3.214   3.246  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1       -0.941   3.406   1.185  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -1.806   4.457   1.079  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -2.272   5.342   2.117  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -2.214   4.664  -0.190  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -1.617   3.693  -0.899  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -1.857   3.574  -2.358  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -0.812   2.874  -0.074  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.569  -1.735  -1.044  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -2.641  -1.054   0.186  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -1.814   0.055   0.416  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1       -0.915   0.511  -0.565  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -0.859  -0.184  -1.783  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -1.676  -1.292  -2.021  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -3.369  -3.514  -2.423  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.405  -2.815  -1.187  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1       -3.537  -1.554   1.100  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -3.705  -0.843   2.317  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH   2  24
ATOM     24  N   LIG    1        1.687   0.165   0.839  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1        1.707  -0.294   1.744  0.00  0.00    +0.150 HD
ATOM     26  C   LIG    1        2.482  -0.295  -0.183  0.00  0.00    +0.245 C 
ATOM     27  O   LIG    1        2.716   0.362  -1.192  0.00  0.00    -0.270 OA
BRANCH  26  28
ATOM     28  C   LIG    1        3.076  -1.645   0.001  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        4.298  -1.928  -0.625  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        4.890  -3.191  -0.491  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1        6.218  -3.477  -1.129  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        4.252  -4.163   0.289  0.00  0.00    +0.003 A 
ATOM     33  C   LIG    1        3.026  -3.890   0.899  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        2.433  -2.636   0.751  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH   2  24
TORSDOF 5