REMARK VINA RESULT: -7.0 2.862 5.270 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 -4.811 -1.658 -2.326 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -6.721 -2.774 -1.488 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.297 -4.862 -1.278 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -4.564 -3.868 -1.418 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.690 -4.971 -1.156 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -1.795 -3.590 -1.584 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -4.045 -2.687 -1.944 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -2.672 -2.561 -1.982 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -5.935 -3.801 -1.110 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -6.129 -1.767 -2.119 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.449 -5.932 -1.039 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -1.306 -6.303 0.345 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -0.243 -5.514 1.136 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -0.602 -4.377 2.117 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -2.010 -4.157 2.517 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -2.530 -2.832 2.114 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -1.808 -1.661 2.796 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -1.900 -1.745 4.224 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -1.434 -3.010 4.716 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.139 -4.188 4.010 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 -0.495 -3.159 -1.550 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -0.217 -1.989 -0.800 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -6.476 -4.753 -0.224 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -7.339 -5.151 -0.551 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -6.191 -4.895 1.142 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -6.136 -3.790 2.008 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -5.828 -3.954 3.360 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.788 -2.576 4.392 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -5.550 -5.220 3.852 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -5.263 -5.405 5.149 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -5.558 -6.323 3.004 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -5.868 -6.160 1.653 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8