REMARK VINA RESULT: -8.8 4.698 8.129 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 -1.832 -1.996 6.921 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -0.113 -2.877 5.555 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -3.406 -5.823 7.665 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -1.683 -4.375 6.626 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.197 -5.665 6.973 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -4.136 -4.655 7.922 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.318 -3.230 7.102 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -3.546 -3.392 7.708 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -0.616 -4.112 5.748 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -0.719 -1.878 6.187 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.899 -7.071 8.015 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.573 -7.129 9.286 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.681 -7.477 10.494 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -4.233 -7.636 11.927 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -3.889 -8.833 12.728 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -4.159 -8.666 14.172 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -3.303 -7.574 14.830 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -1.902 -7.840 14.680 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -1.541 -8.038 13.306 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.419 -9.116 12.637 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 -5.422 -4.539 8.377 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -5.601 -4.174 9.735 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -0.166 -5.145 4.904 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.897 -5.538 4.335 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 1.001 -5.910 5.050 0.00 0.00 0.035 A ATOM 26 C UNL d 1 2.162 -5.643 4.306 0.00 0.00 0.056 A ATOM 27 C UNL d 1 3.305 -6.432 4.451 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 4.713 -6.059 3.534 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 3.288 -7.509 5.325 0.00 0.00 0.138 A ATOM 30 F UNL d 1 4.376 -8.275 5.491 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 2.135 -7.818 6.041 0.00 0.00 0.046 A ATOM 32 C UNL d 1 0.994 -7.028 5.897 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8