REMARK 6 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: C1 and O1 REMARK 2 A between atoms: C7 and C2 REMARK 3 A between atoms: C1 and C10 REMARK 4 A between atoms: C10 and C9 REMARK 5 A between atoms: C9 and C8 REMARK 6 A between atoms: C8 and C7 ROOT ATOM 1 C2 BTN A 300 27.308 14.903 2.200 0.00 0.00 0.069 ATOM 2 S1 BTN A 300 27.269 15.920 3.733 0.00 0.00 -0.153 ATOM 3 C4 BTN A 300 27.898 13.552 2.668 0.00 0.00 0.116 ATOM 4 C6 BTN A 300 26.684 14.437 4.635 0.00 0.00 0.094 ATOM 5 N2 BTN A 300 29.359 13.580 2.700 0.00 0.00 -0.213 ATOM 6 C5 BTN A 300 27.527 13.274 4.121 0.00 0.00 0.113 ATOM 7 C3 BTN A 300 29.852 13.374 3.942 0.00 0.00 0.236 ATOM 8 H16 BTN A 300 29.742 12.804 2.054 0.00 0.00 0.159 ATOM 9 N1 BTN A 300 28.828 13.186 4.782 0.00 0.00 -0.213 ATOM 10 O3 BTN A 300 31.077 13.371 4.190 0.00 0.00 -0.386 ATOM 11 H15 BTN A 300 28.884 13.942 5.551 0.00 0.00 0.159 ENDROOT BRANCH 1 12 ATOM 12 C7 BTN A 300 28.012 15.375 0.993 0.00 0.00 0.016 BRANCH 12 13 ATOM 13 C8 BTN A 300 27.872 16.789 0.431 0.00 0.00 0.004 BRANCH 13 14 ATOM 14 C9 BTN A 300 26.600 17.064 -0.263 0.00 0.00 0.024 BRANCH 14 15 ATOM 15 C10 BTN A 300 26.706 18.230 -1.307 0.00 0.00 0.152 BRANCH 15 16 ATOM 16 C1 BTN A 300 25.436 18.393 -2.064 0.00 0.00 0.231 ATOM 17 O2 BTN A 300 24.532 19.190 -1.777 0.00 0.00 -0.371 BRANCH 16 18 ATOM 18 O1 BTN A 300 25.082 17.315 -2.737 0.00 0.00 -0.293 ATOM 19 H14 BTN A 300 24.145 17.341 -2.891 0.00 0.00 0.254 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 1 12 TORSDOF 5 CONECT 1 12 2 3 CONECT 2 1 4 CONECT 3 1 5 6 CONECT 4 6 2 CONECT 5 3 7 8 CONECT 6 3 4 9 CONECT 7 9 10 5 CONECT 8 5 CONECT 9 6 7 11 CONECT 10 7 CONECT 11 9 CONECT 12 13 1 CONECT 13 14 12 CONECT 14 15 13 CONECT 15 16 14 CONECT 16 17 18 15 CONECT 17 16 CONECT 18 16 19 CONECT 19 18 MASTER 0 0 0 0 0 0 0 0 0 0 0 0 END