REMARK  Name = BDB061626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.596   3.808   1.296  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        1.175   2.404   1.620  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        2.086   1.336   1.679  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.660   0.058   2.080  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        2.610  -1.089   2.267  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.291  -0.168   2.290  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.642   0.870   2.172  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -0.188   2.150   1.835  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1        3.415   1.570   1.432  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1        3.849   1.313   0.084  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1        4.400   2.638  -0.477  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        5.057   0.361   0.191  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1        2.858   0.702  -0.944  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1        2.773  -0.474  -1.268  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1        2.014   1.600  -1.496  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        1.406   1.049  -2.031  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1       -2.113   0.608   2.387  0.00  0.00    +0.184 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.770   0.182   1.174  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1       -2.897  -1.142   0.736  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1       -2.538  -2.128   1.364  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1       -3.495  -1.055  -0.512  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1       -3.654   0.273  -0.720  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1       -3.243   1.055   0.229  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.849  -2.114  -1.385  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1       -3.599  -3.455  -1.053  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -3.950  -4.501  -1.918  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -4.559  -4.221  -3.134  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -4.991  -5.500  -4.197  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -4.820  -2.903  -3.490  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -4.468  -1.860  -2.623  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7