REMARK VINA RESULT: -6.9 2.321 3.334 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 1.604 -2.558 11.031 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -0.451 -1.820 11.943 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 2.928 1.388 10.438 0.00 0.00 0.103 C ATOM 4 C UNL d 1 1.214 -0.200 11.267 0.00 0.00 0.042 C ATOM 5 C UNL d 1 1.736 1.126 11.128 0.00 0.00 0.057 C ATOM 6 C UNL d 1 3.539 0.295 9.809 0.00 0.00 0.103 C ATOM 7 C UNL d 1 1.969 -1.287 10.829 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.095 -1.015 10.081 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -0.067 -0.546 11.732 0.00 0.00 0.142 C ATOM 10 C UNL d 1 0.421 -2.769 11.622 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 3.443 2.669 10.315 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 3.998 3.225 11.523 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 3.958 4.763 11.623 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 2.701 5.543 12.066 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 1.359 5.104 11.620 0.00 0.00 0.092 N ATOM 16 C UNL d 1 0.428 6.227 11.379 0.00 0.00 0.298 C ATOM 17 C UNL d 1 0.105 7.033 12.647 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.470 6.205 13.666 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 0.355 5.068 13.959 0.00 0.00 0.198 C ATOM 20 C UNL d 1 0.703 4.274 12.683 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 4.569 0.301 8.907 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 4.764 -0.872 8.134 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.049 0.460 11.817 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -1.271 0.717 12.764 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -1.978 0.821 10.830 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.138 0.066 10.590 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.037 0.432 9.586 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.456 -0.510 9.336 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -3.772 1.544 8.800 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -4.626 1.923 7.838 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -2.609 2.283 8.993 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -1.711 1.917 9.998 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8