REMARK  Name = BDB064717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.700   1.292   0.085  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1       -2.474   0.306   0.631  0.00  0.00    +0.168 A 
ATOM      3  C   LIG    1       -3.352  -0.058  -0.381  0.00  0.00    +0.151 A 
ATOM      4  C   LIG    1       -4.272  -1.075  -0.076  0.00  0.00    +0.147 A 
ATOM      5  N   LIG    1       -4.232  -1.636   1.153  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -3.324  -1.175   2.041  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1       -3.121   0.681  -1.527  0.00  0.00    -0.190 NA
ATOM      8  N   LIG    1       -2.400  -0.207   1.871  0.00  0.00    -0.216 NA
ATOM      9  C   LIG    1       -2.134   1.475  -1.196  0.00  0.00    +0.298 A 
ENDROOT
BRANCH   4  10
ATOM     10  N   LIG    1       -5.212  -1.548  -0.983  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1       -4.974  -1.362  -1.950  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -5.532  -2.478  -0.747  0.00  0.00    +0.144 HD
ENDBRANCH   4  10
BRANCH   9  13
ATOM     13  O   LIG    1       -1.634   2.359  -2.033  0.00  0.00    -0.479 OA
ATOM     14  H   LIG    1       -2.171   2.208  -2.832  0.00  0.00    +0.295 HD
ENDBRANCH   9  13
BRANCH   1  15
ATOM     15  C   LIG    1       -0.640   2.010   0.761  0.00  0.00    +0.169 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.635   1.181   0.886  0.00  0.00    +0.250 C 
BRANCH  16  17
ATOM     17  O   LIG    1        1.243   1.073  -0.403  0.00  0.00    -0.490 OA
BRANCH  17  21
ATOM     18  C   LIG    1        4.725  -1.145  -0.986  0.00  0.00    +0.052 A 
ATOM     19  C   LIG    1        4.062  -0.514  -2.042  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        2.898   0.218  -1.794  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        2.384   0.328  -0.499  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.048  -0.301   0.555  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        4.215  -1.036   0.312  0.00  0.00    +0.022 A 
BRANCH  18  25
ATOM     24  N   LIG    1        6.888  -2.507  -1.425  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        5.920  -1.897  -1.231  0.00  0.00    +0.099 C 
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7