REMARK VINA RESULT: 1.6 0.000 0.000 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 21.385 1.685 -13.317 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 20.183 2.119 -15.309 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 20.833 5.624 -11.952 0.00 0.00 0.103 C ATOM 4 C UNL d 1 20.429 3.863 -13.650 0.00 0.00 0.042 C ATOM 5 C UNL d 1 20.190 5.168 -13.112 0.00 0.00 0.057 C ATOM 6 C UNL d 1 21.794 4.770 -11.395 0.00 0.00 0.103 C ATOM 7 C UNL d 1 21.214 2.958 -12.940 0.00 0.00 0.075 C ATOM 8 C UNL d 1 21.907 3.440 -11.849 0.00 0.00 0.072 C ATOM 9 C UNL d 1 20.020 3.396 -14.913 0.00 0.00 0.142 C ATOM 10 C UNL d 1 20.821 1.309 -14.472 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 20.592 6.881 -11.420 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 21.222 7.973 -12.117 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 21.205 9.327 -11.381 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 21.140 9.445 -9.843 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 22.148 8.762 -9.002 0.00 0.00 0.092 N ATOM 16 C UNL d 1 22.110 9.185 -7.585 0.00 0.00 0.298 C ATOM 17 C UNL d 1 22.463 10.666 -7.382 0.00 0.00 0.198 C ATOM 18 O UNL d 1 23.768 10.972 -7.889 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 23.913 10.578 -9.261 0.00 0.00 0.198 C ATOM 20 C UNL d 1 23.532 9.098 -9.471 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 22.708 5.046 -10.412 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 23.617 6.107 -10.648 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 19.583 4.332 -15.870 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 18.590 4.487 -15.846 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 20.256 4.728 -17.035 0.00 0.00 0.035 A ATOM 26 C UNL d 1 19.831 5.827 -17.801 0.00 0.00 0.056 A ATOM 27 C UNL d 1 20.503 6.190 -18.970 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 19.960 7.553 -19.869 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 21.592 5.443 -19.394 0.00 0.00 0.138 A ATOM 30 F UNL d 1 22.262 5.778 -20.507 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 22.006 4.327 -18.674 0.00 0.00 0.046 A ATOM 32 C UNL d 1 21.335 3.965 -17.504 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8