REMARK  Name = BDB034907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.017  -2.155   0.438  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -1.083  -1.693   0.989  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -2.086  -0.850   0.542  0.00  0.00    -0.278 N 
ATOM      4  C   LIG    1       -3.248  -0.780   1.443  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -2.731  -0.997   2.859  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -1.386  -2.199   2.662  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.787   0.410  -0.039  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -2.522   0.852  -1.153  0.00  0.00    +0.141 A 
ATOM      9  C   LIG    1       -2.307   2.098  -1.727  0.00  0.00    +0.085 A 
ATOM     10  C   LIG    1       -1.313   2.911  -1.198  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1       -1.081   4.111  -1.746  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -0.546   2.496  -0.114  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -0.783   1.248   0.469  0.00  0.00    +0.030 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -3.449   0.028  -1.732  0.00  0.00    -0.505 OA
ATOM     15  H   LIG    1       -3.155  -0.882  -1.528  0.00  0.00    +0.292 HD
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  O   LIG    1       -0.666  -2.158  -1.761  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        0.139  -1.855  -0.886  0.00  0.00    +0.271 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.366  -1.110  -1.165  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1        2.455  -0.751  -0.299  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        3.350  -0.001  -1.057  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        4.506   0.557  -0.655  0.00  0.00    -0.237 NA
ATOM     22  C   LIG    1        4.785   0.317   0.645  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        3.994  -0.415   1.518  0.00  0.00    +0.020 A 
ATOM     24  N   LIG    1        2.861   0.091  -2.328  0.00  0.00    -0.345 N 
ATOM     25  H   LIG    1        3.331   0.584  -3.073  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        2.801  -0.966   1.049  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        1.668  -0.573  -2.412  0.00  0.00    +0.098 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4