REMARK  Name = BDB015640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413   1.354  -0.444  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1        0.138   0.131  -0.035  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -1.125  -0.044   0.347  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1       -2.039   0.923   0.400  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1       -1.613   2.117   0.003  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1       -0.379   2.407  -0.401  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.550  -1.404   0.777  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -0.779  -2.468   0.482  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -1.116  -3.760   0.858  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -0.216  -4.840   0.484  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.280  -4.057   1.564  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.605  -5.189   1.916  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.159  -2.889   1.891  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.420  -3.181   2.637  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.787  -1.657   1.505  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.742   1.679  -0.734  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        1.813   2.664  -0.979  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.505   0.746  -1.886  0.00  0.00    +0.045 S 
ATOM     19  O   LIG    1        3.206   1.701  -2.721  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        1.601  -0.214  -2.479  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.756  -0.117  -0.938  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.189  -1.086   0.089  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.064  -2.814   0.006  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.269  -1.843   0.864  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  O   LIG    1       -2.558   3.131   0.102  0.00  0.00    -0.418 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.280   4.276  -0.598  0.00  0.00    +0.202 A 
ATOM     27  C   LIG    1       -1.984   5.443   0.098  0.00  0.00    +0.168 A 
ATOM     28  F   LIG    1       -1.932   5.435   1.437  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -1.728   6.632  -0.583  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -1.779   6.657  -1.978  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -2.093   5.493  -2.683  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -2.347   4.312  -1.988  0.00  0.00    +0.168 A 
ATOM     33  F   LIG    1       -2.659   3.206  -2.678  0.00  0.00    -0.202 F 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 8