REMARK  Name = BDB028096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.449   1.681  -0.275  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.653   1.157   0.415  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.846   1.042  -0.274  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.136   0.525   0.195  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        4.034   0.677  -0.847  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.381   1.140  -2.065  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        3.324   0.030   1.288  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.988   1.410  -1.610  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        0.909   1.917  -2.310  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.311   2.048  -1.636  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        5.396   0.157  -0.874  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.378  -1.371  -0.880  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.844  -2.018  -1.783  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.944  -2.009   0.193  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.908  -3.018   0.175  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.410  -1.462   1.360  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        6.829  -2.185   2.262  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.358   0.038   1.496  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.352   0.753   0.157  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.786   1.807   0.407  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1       -4.508  -0.553   0.281  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1       -4.107  -1.011  -0.525  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1       -3.920   0.660   0.538  0.00  0.00    +0.300 C 
ATOM     24  N   LIG    1       -2.612   0.658   0.120  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1       -2.160  -0.240   0.200  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1       -4.465   1.620   1.061  0.00  0.00    -0.253 OA
BRANCH  21  28
ATOM     27  C   LIG    1       -6.841   0.026  -0.318  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -5.924  -0.853   0.545  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -6.167  -2.329   0.177  0.00  0.00    +0.031 C 
ATOM     30  C   LIG    1       -6.266  -0.672   2.034  0.00  0.00    +0.031 C 
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4