REMARK  Name = BDB061641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.419   2.851  -0.215  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.808   1.486  -0.347  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.318   0.361   0.322  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.644  -0.870   0.259  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.070  -2.066   1.060  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.539  -0.998  -0.598  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.071   0.089  -1.345  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -0.700   1.330  -1.195  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -3.422   0.499   1.123  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -4.678   0.161   0.508  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -5.552   1.430   0.532  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.364  -0.848   1.451  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.703  -0.443  -0.923  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -4.802  -1.626  -1.216  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.586   0.473  -1.910  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -4.534  -0.069  -2.724  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        1.133  -0.057  -2.244  0.00  0.00    +0.184 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.363   0.256  -1.557  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        3.134  -0.648  -0.813  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        2.920  -1.849  -0.733  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        4.129   0.120  -0.230  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        3.866   1.383  -0.637  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        2.840   1.534  -1.415  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        5.179  -0.310   0.620  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        6.113   0.602   1.141  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        7.153   0.180   1.980  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.281  -1.162   2.315  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.370  -2.082   1.811  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.331  -1.660   0.973  0.00  0.00    +0.026 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7