REMARK  Name = BDB027904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.502   1.448  -1.810  0.00  0.00    +0.141 A 
ATOM      2  C   LIG    1        0.184   0.807  -0.758  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.565   0.216   0.272  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.976   0.190   0.262  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.620   0.807  -0.819  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.895   1.434  -1.840  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.743  -0.485   1.413  0.00  0.00    -0.013 C 
ATOM      8  C   LIG    1       -4.279  -0.457   1.241  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -2.418   0.232   2.741  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -2.324  -1.968   1.520  0.00  0.00    +0.015 C 
ENDBRANCH   4   7
BRANCH   1  12
ATOM     11  C   LIG    1       -0.341   2.736  -3.812  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        0.303   2.028  -2.762  0.00  0.00    -0.493 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  N   LIG    1        1.597   0.882  -0.714  0.00  0.00    -0.330 N 
ATOM     14  H   LIG    1        1.902   1.202  -1.646  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.328  -0.333  -0.321  0.00  0.00    +0.158 C 
ATOM     16  C   LIG    1        3.483  -0.587  -1.307  0.00  0.00    +0.239 C 
ATOM     17  O   LIG    1        3.488  -0.169  -2.465  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1        4.532  -1.341  -0.836  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        5.286  -1.500  -1.490  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        4.798  -1.668   0.469  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        5.851  -2.213   0.784  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        3.710  -1.370   1.473  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        2.918  -0.136   1.075  0.00  0.00    +0.041 C 
ENDBRANCH  13  15
ENDBRANCH   2  13
TORSDOF 4