REMARK  Name = BDB000223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.987  -1.310  -0.746  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1       -0.590  -1.156  -0.746  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        0.138  -2.117  -1.429  0.00  0.00    +0.233 A 
ATOM      4  O   LIG    1        1.464  -1.831  -1.371  0.00  0.00    -0.436 OA
ATOM      5  C   LIG    1        1.619  -0.688  -0.636  0.00  0.00    +0.146 A 
ATOM      6  N   LIG    1       -0.336  -3.189  -2.076  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -1.667  -3.254  -1.995  0.00  0.00    +0.227 A 
ATOM      8  C   LIG    1        0.372  -0.231  -0.228  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1       -2.499  -2.391  -1.382  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        3.006  -0.260  -0.463  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        3.436   0.372   0.712  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        4.764   0.782   0.862  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.683   0.561  -0.161  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.277  -0.073  -1.332  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.949  -0.482  -1.480  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
BRANCH   8  16
ATOM     16  C   LIG    1        0.150   0.975   0.546  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1       -0.404   0.889   1.829  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -0.638   2.049   2.570  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -0.320   3.296   2.033  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        0.231   3.387   0.756  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        0.465   2.229   0.011  0.00  0.00    +0.008 A 
ENDBRANCH   8  16
BRANCH   1  22
ATOM     22  N   LIG    1       -2.842  -0.409  -0.109  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -2.422   0.514  -0.033  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.234  -0.383  -0.572  0.00  0.00    +0.130 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.076  -1.416   0.185  0.00  0.00    +0.174 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -4.925  -1.219   1.593  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -3.958  -1.138   1.716  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6