REMARK  Name = BDB034908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.008  -0.231   0.839  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.672   0.857   0.621  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -2.009   0.954   0.261  0.00  0.00    -0.278 N 
ATOM      4  C   LIG    1       -2.448   2.295  -0.131  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -1.602   3.276   0.666  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1        0.028   2.490   0.738  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.832  -0.121  -0.134  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -4.195  -0.187   0.207  0.00  0.00    +0.174 A 
ATOM      9  C   LIG    1       -4.990  -1.265  -0.192  0.00  0.00    +0.166 A 
ATOM     10  F   LIG    1       -6.284  -1.288   0.163  0.00  0.00    -0.202 F 
ATOM     11  C   LIG    1       -4.465  -2.310  -0.936  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -3.119  -2.279  -1.278  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -2.317  -1.200  -0.877  0.00  0.00    +0.027 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -4.770   0.789   0.987  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1       -5.677   0.491   1.187  0.00  0.00    +0.292 HD
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  O   LIG    1        1.594   0.106   2.441  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        1.284  -0.132   1.279  0.00  0.00    +0.271 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.276  -0.404   0.235  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1        3.703  -0.389   0.384  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        4.252  -0.698  -0.856  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        5.554  -0.795  -1.181  0.00  0.00    -0.237 NA
ATOM     22  C   LIG    1        6.375  -0.552  -0.133  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        5.971  -0.232   1.156  0.00  0.00    +0.020 A 
ATOM     24  N   LIG    1        3.227  -0.897  -1.734  0.00  0.00    -0.345 N 
ATOM     25  H   LIG    1        3.365  -1.136  -2.705  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        4.607  -0.145   1.434  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        2.027  -0.722  -1.096  0.00  0.00    +0.098 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4