REMARK VINA RESULT: -8.6 1.319 1.756 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 -5.276 -2.922 7.213 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.326 -2.462 5.095 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -9.178 -2.813 5.651 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.725 -2.685 5.312 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -8.063 -2.742 4.805 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -8.924 -2.734 7.027 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.500 -2.843 6.678 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -7.602 -2.829 7.508 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -5.566 -2.387 4.574 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -4.236 -2.770 6.384 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -10.473 -2.883 5.161 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -11.060 -4.198 5.166 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -10.128 -5.338 5.624 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -10.291 -6.797 5.146 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -11.145 -7.737 5.907 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -10.862 -7.739 7.359 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -9.447 -8.229 7.703 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -9.216 -9.558 7.215 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -9.485 -9.665 5.810 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -10.895 -9.147 5.460 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 -9.820 -2.563 8.048 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -9.986 -3.640 8.955 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -5.709 -1.818 3.293 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -6.560 -1.294 3.186 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -5.057 -2.211 2.115 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -5.667 -3.061 1.177 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.989 -3.457 0.022 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.779 -4.485 -1.112 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -3.689 -3.026 -0.193 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -3.021 -3.383 -1.300 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -3.050 -2.218 0.743 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -3.728 -1.820 1.897 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8