REMARK  Name = BDB029258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.323   1.438  -0.677  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.219   0.953  -2.129  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.281   0.775  -2.323  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.843   1.863  -1.414  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -0.002   1.807  -0.233  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        5.174  -2.447   2.203  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1        4.759  -1.386   1.233  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.449  -0.900   1.114  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        2.197  -1.158   1.734  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        1.261  -0.331   1.149  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.899   0.430   0.203  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        3.231   0.087   0.163  0.00  0.00    +0.146 A 
ATOM     13  N   LIG    1        4.143   0.620  -0.671  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        5.361   0.086  -0.470  0.00  0.00    +0.223 A 
ATOM     15  N   LIG    1        5.715  -0.867   0.414  0.00  0.00    -0.240 NA
ENDBRANCH   1  11
BRANCH   2  16
ATOM     16  O   LIG    1        1.687   1.953  -3.059  0.00  0.00    -0.385 OA
ATOM     17  H   LIG    1        2.652   2.024  -2.918  0.00  0.00    +0.210 HD
ENDBRANCH   2  16
BRANCH   3  18
ATOM     18  O   LIG    1       -0.641   0.921  -3.691  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        0.025   1.535  -4.069  0.00  0.00    +0.210 HD
ENDBRANCH   3  18
BRANCH   4  20
ATOM     20  C   LIG    1       -2.362   1.776  -1.078  0.00  0.00    +0.117 C 
ATOM     21  C   LIG    1       -3.219   1.959  -2.344  0.00  0.00    +0.049 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.729   0.520  -0.277  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1       -2.531   0.501   1.120  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.857  -0.639   1.816  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1       -2.882  -1.267   3.178  0.00  0.00    +0.040 C 
ATOM     26  C   LIG    1       -3.461  -2.537   2.470  0.00  0.00    +0.040 C 
ATOM     27  C   LIG    1       -3.357  -1.753   1.195  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -3.562  -1.796  -0.161  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.242  -0.649  -0.898  0.00  0.00    +0.007 A 
ENDBRANCH  20  22
BRANCH  20  30
ATOM     30  O   LIG    1       -2.692   2.936  -0.276  0.00  0.00    -0.382 OA
ATOM     31  H   LIG    1       -3.535   2.742   0.170  0.00  0.00    +0.211 HD
ENDBRANCH  20  30
ENDBRANCH   4  20
TORSDOF 6