REMARK  Name = BDB046752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.726   0.804   0.131  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -0.178  -0.484  -0.057  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -1.014  -1.604  -0.043  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -2.396  -1.454   0.136  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.936  -0.175   0.310  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -2.103   0.949   0.307  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.223  -0.552  -0.241  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        1.672   0.357  -0.214  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.988  -1.655  -0.531  0.00  0.00    +0.241 C 
ATOM     10  O   LIG    1        1.598  -2.792  -0.761  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1        3.440  -1.371  -0.635  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1        4.082  -0.549   0.206  0.00  0.00    +0.096 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.529  -0.371   0.059  0.00  0.00    +0.330 C 
ATOM     14  O   LIG    1        6.255  -0.866  -0.779  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1        5.986   0.462   1.007  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        6.949   0.510   0.834  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   9  11
ENDBRANCH   2   7
BRANCH   4  17
ATOM     17  C   LIG    1       -3.256  -2.675   0.150  0.00  0.00    +0.160 C 
ATOM     18  O   LIG    1       -2.749  -3.784   0.293  0.00  0.00    -0.292 OA
ATOM     19  C   LIG    1       -4.747  -2.516   0.004  0.00  0.00    +0.091 C 
ENDBRANCH   4  17
BRANCH   1  20
ATOM     20  O   LIG    1        0.184   1.834   0.110  0.00  0.00    -0.490 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -0.714   3.884  -0.826  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -0.252   3.157   0.425  0.00  0.00    +0.226 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7