REMARK VINA RESULT: -6.9 1.670 2.185 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 2.010 -2.011 8.574 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -0.236 -2.176 9.299 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 2.758 1.230 11.146 0.00 0.00 0.103 C ATOM 4 C UNL d 1 1.225 -0.516 10.282 0.00 0.00 0.042 C ATOM 5 C UNL d 1 1.544 0.531 11.204 0.00 0.00 0.057 C ATOM 6 C UNL d 1 3.611 0.913 10.080 0.00 0.00 0.103 C ATOM 7 C UNL d 1 2.192 -0.960 9.383 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.349 -0.216 9.277 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -0.035 -1.117 10.107 0.00 0.00 0.142 C ATOM 10 C UNL d 1 0.810 -2.603 8.600 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 3.076 2.235 12.047 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 2.444 3.505 11.797 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 3.404 4.690 11.575 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 2.977 6.162 11.761 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 1.974 6.765 10.854 0.00 0.00 0.092 N ATOM 16 C UNL d 1 2.125 8.229 10.708 0.00 0.00 0.298 C ATOM 17 C UNL d 1 1.889 8.999 12.017 0.00 0.00 0.198 C ATOM 18 O UNL d 1 0.580 8.750 12.546 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 0.327 7.347 12.706 0.00 0.00 0.198 C ATOM 20 C UNL d 1 0.592 6.569 11.401 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 4.735 1.576 9.665 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 4.589 2.503 8.603 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.166 -0.486 10.659 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.978 -0.035 11.538 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.511 -0.744 10.356 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.048 -2.041 10.410 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.385 -2.279 10.082 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.008 -3.881 10.178 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -5.189 -1.224 9.677 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -6.479 -1.424 9.368 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -4.668 0.062 9.577 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -3.332 0.299 9.906 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8