REMARK  Name = BDB036853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.111  -0.473  -1.428  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -2.432  -0.784  -0.036  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.472  -0.793   0.991  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1       -1.741  -1.204   2.122  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.837  -1.004   0.366  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -4.783  -1.461  -0.754  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -4.724  -2.577  -1.269  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -5.637  -0.513  -1.267  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -6.196  -0.811  -2.055  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -5.637   0.836  -1.021  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -6.283   1.604  -1.729  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.759   1.326   0.104  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.439   0.212   1.085  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -0.086  -0.274   0.753  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        0.067   0.768  -0.103  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1        1.328   1.243  -0.250  0.00  0.00    +0.157 A 
ATOM     17  C   LIG    1        2.449   0.752   0.415  0.00  0.00    +0.139 A 
ATOM     18  C   LIG    1        2.253  -0.309   1.293  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        0.968  -0.826   1.473  0.00  0.00    +0.036 A 
BRANCH  17  20
ATOM     20  O   LIG    1        3.627   1.369   0.120  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.804   0.994   0.838  0.00  0.00    +0.232 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.492  -0.145   0.147  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        6.353   0.106  -1.065  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        6.989  -0.301   0.237  0.00  0.00    +0.007 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   3  14
TORSDOF 5