REMARK  Name = BDB065236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.044   0.100   0.178  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        3.357  -0.972  -0.413  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        1.962  -0.950  -0.442  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        1.233   0.133   0.114  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        1.930   1.207   0.680  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1        1.317   2.275   1.194  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1       -0.023   2.282   1.133  0.00  0.00    +0.234 A 
ATOM      8  N   LIG    1       -0.796   1.311   0.629  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1       -0.175   0.230   0.137  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        3.318   1.171   0.709  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        6.146   1.079   0.767  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        5.414   0.011   0.181  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1        4.131  -1.983  -0.922  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1        3.480  -3.017  -1.646  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   7  15
ATOM     15  C   LIG    1       -0.697   3.435   1.670  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1       -1.243   4.365   2.107  0.00  0.00    -0.188 NA
ENDBRANCH   7  15
BRANCH   9  17
ATOM     17  N   LIG    1       -0.944  -0.816  -0.400  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -0.648  -1.691   0.025  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.412  -0.737  -0.446  0.00  0.00    +0.072 C 
ATOM     20  C   LIG    1       -3.059  -0.741   0.943  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -4.584  -0.840   0.854  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -5.183  -0.094  -0.341  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.252   0.980  -0.888  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -2.928   0.382  -1.367  0.00  0.00    +0.022 C 
ENDBRANCH  17  19
ENDBRANCH   9  17
TORSDOF 5