REMARK  Name = BDB063152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.333   3.476   1.994  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.618   2.620   1.157  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -1.200   1.431   0.625  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -2.530   1.136   0.959  0.00  0.00    +0.073 A 
ATOM      5  N   LIG    1       -3.175   0.051   0.512  0.00  0.00    -0.246 NA
ATOM      6  C   LIG    1       -2.565  -0.817  -0.314  0.00  0.00    +0.078 A 
ATOM      7  C   LIG    1       -1.232  -0.648  -0.725  0.00  0.00    +0.018 A 
ATOM      8  C   LIG    1       -0.670  -1.622  -1.594  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -1.390  -2.731  -2.035  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -2.703  -2.881  -1.618  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -3.289  -1.929  -0.763  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -3.227   1.996   1.794  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -0.545   0.497  -0.228  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -2.644   3.153   2.312  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        0.457   5.025   2.233  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -0.872   4.632   2.556  0.00  0.00    -0.495 OA
ENDBRANCH   1  16
BRANCH   9  17
ATOM     17  O   LIG    1       -0.701  -3.573  -2.860  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1       -1.385  -4.734  -3.317  0.00  0.00    +0.277 C 
ENDBRANCH   9  17
BRANCH  11  19
ATOM     19  C   LIG    1       -4.733  -2.109  -0.354  0.00  0.00    +0.193 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -4.868  -2.148   1.060  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1       -4.406  -1.346   1.380  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  13  22
ATOM     22  S   LIG    1        1.193   0.774  -0.683  0.00  0.00    -0.124 S 
BRANCH  22  23
ATOM     23  C   LIG    1        1.978  -0.194   0.657  0.00  0.00    +0.079 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.506  -0.242   0.609  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1        4.209   1.107   0.693  0.00  0.00    +0.085 C 
ATOM     26  N   LIG    1        5.559   0.773   0.240  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1        6.077   1.613  -0.011  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        5.368  -0.083  -0.931  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        4.116  -0.900  -0.632  0.00  0.00    +0.020 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  13  22
TORSDOF 7