REMARK  Name = BDB052208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.955  -1.552  -0.735  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1       -0.735  -0.164  -0.785  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        0.587   0.255  -0.844  0.00  0.00    +0.152 A 
ATOM      4  O   LIG    1        1.025   1.561  -0.899  0.00  0.00    -0.458 OA
ATOM      5  C   LIG    1        2.414   1.532  -0.827  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        2.948   0.120  -0.973  0.00  0.00    +0.117 C 
ATOM      7  C   LIG    1        3.629  -0.104  -2.328  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1        3.940  -0.058   0.172  0.00  0.00    +0.169 C 
ATOM      9  O   LIG    1        3.984  -1.069   0.876  0.00  0.00    -0.295 OA
ATOM     10  C   LIG    1        4.978   1.038   0.341  0.00  0.00    +0.192 C 
ATOM     11  C   LIG    1        4.561   2.388  -0.206  0.00  0.00    +0.177 C 
ATOM     12  O   LIG    1        5.366   3.302  -0.369  0.00  0.00    -0.291 OA
ATOM     13  C   LIG    1        3.135   2.613  -0.518  0.00  0.00    +0.090 C 
ATOM     14  C   LIG    1        1.661  -0.647  -0.878  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        1.423  -2.006  -0.888  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1        0.112  -2.468  -0.810  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -1.831   0.841  -0.753  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1       -3.028   0.452  -1.316  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -3.132  -0.522  -1.580  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -1.659   1.940  -0.241  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.232   1.230  -1.154  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.021   0.734   0.031  0.00  0.00    -0.029 A 
ATOM     23  C   LIG    1       -5.991  -0.267  -0.122  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -6.683  -0.747   0.990  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -7.866  -1.981   0.790  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -6.417  -0.244   2.262  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.447   0.744   2.425  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.750   1.227   1.317  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  17
BRANCH  10  29
ATOM     29  C   LIG    1        5.381   1.173   1.790  0.00  0.00    +0.148 C 
ATOM     30  O   LIG    1        4.691   1.801   2.595  0.00  0.00    -0.296 OA
ATOM     31  C   LIG    1        6.647   0.480   2.220  0.00  0.00    +0.087 C 
ENDBRANCH  10  29
BRANCH   1  33
ATOM     32  C   LIG    1       -2.597  -2.299   0.693  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -2.225  -2.077  -0.673  0.00  0.00    -0.494 OA
ENDBRANCH   1  33
BRANCH  15  34
ATOM     34  O   LIG    1        2.471  -2.863  -1.006  0.00  0.00    -0.506 OA
ATOM     35  H   LIG    1        2.177  -3.762  -0.778  0.00  0.00    +0.292 HD
ENDBRANCH  15  34
TORSDOF 6