REMARK VINA RESULT: -4.7 3.354 6.196 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 17.389 -29.156 -2.433 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 18.529 -29.616 -0.411 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 19.731 -31.928 -4.557 0.00 0.00 0.103 C ATOM 4 C UNL d 1 19.116 -30.824 -2.423 0.00 0.00 0.042 C ATOM 5 C UNL d 1 19.832 -31.819 -3.162 0.00 0.00 0.057 C ATOM 6 C UNL d 1 18.961 -30.953 -5.204 0.00 0.00 0.103 C ATOM 7 C UNL d 1 18.181 -30.023 -3.075 0.00 0.00 0.075 C ATOM 8 C UNL d 1 18.149 -30.079 -4.452 0.00 0.00 0.072 C ATOM 9 C UNL d 1 19.317 -30.485 -1.073 0.00 0.00 0.142 C ATOM 10 C UNL d 1 17.570 -29.022 -1.114 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 20.412 -32.900 -5.273 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 20.384 -34.219 -4.696 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 21.751 -34.922 -4.583 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 22.380 -35.320 -3.230 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 23.811 -35.048 -2.967 0.00 0.00 0.092 N ATOM 16 C UNL d 1 24.279 -35.585 -1.671 0.00 0.00 0.298 C ATOM 17 C UNL d 1 23.593 -34.936 -0.459 0.00 0.00 0.198 C ATOM 18 O UNL d 1 23.794 -33.516 -0.437 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 23.387 -32.900 -1.667 0.00 0.00 0.198 C ATOM 20 C UNL d 1 24.054 -33.570 -2.886 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 18.870 -30.695 -6.546 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 18.067 -29.597 -6.945 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 20.489 -30.931 -0.432 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 21.299 -30.905 -1.026 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 20.572 -31.733 0.716 0.00 0.00 0.035 A ATOM 26 C UNL d 1 20.492 -33.134 0.650 0.00 0.00 0.056 A ATOM 27 C UNL d 1 20.555 -33.912 1.808 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 20.472 -35.627 1.681 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 20.674 -33.293 3.043 0.00 0.00 0.138 A ATOM 30 F UNL d 1 20.748 -34.018 4.169 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 20.714 -31.906 3.136 0.00 0.00 0.046 A ATOM 32 C UNL d 1 20.653 -31.129 1.978 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8