REMARK VINA RESULT: -8.2 3.090 5.198 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 1 114.294 87.334 57.053 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 115.347 87.621 54.954 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 111.541 84.583 55.460 0.00 0.00 0.103 C ATOM 4 C UNL d 1 113.507 86.065 55.172 0.00 0.00 0.042 C ATOM 5 C UNL d 1 112.609 85.061 54.688 0.00 0.00 0.057 C ATOM 6 C UNL d 1 111.341 85.204 56.700 0.00 0.00 0.103 C ATOM 7 C UNL d 1 113.417 86.490 56.495 0.00 0.00 0.075 C ATOM 8 C UNL d 1 112.317 86.078 57.219 0.00 0.00 0.072 C ATOM 9 C UNL d 1 114.457 86.770 54.409 0.00 0.00 0.142 C ATOM 10 C UNL d 1 115.252 87.831 56.263 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 110.678 83.601 54.999 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 111.058 82.986 53.754 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 110.017 83.086 52.620 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 110.311 83.777 51.271 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 111.365 84.812 51.180 0.00 0.00 0.092 N ATOM 16 C UNL d 1 111.248 85.659 49.973 0.00 0.00 0.298 C ATOM 17 C UNL d 1 111.438 84.881 48.662 0.00 0.00 0.198 C ATOM 18 O UNL d 1 112.716 84.233 48.614 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 112.935 83.398 49.760 0.00 0.00 0.198 C ATOM 20 C UNL d 1 112.717 84.172 51.077 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 1 110.269 85.089 57.545 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 109.530 86.266 57.822 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 114.365 86.723 53.005 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 115.120 86.214 52.577 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 113.632 87.584 52.176 0.00 0.00 0.035 A ATOM 26 C UNL d 1 112.440 88.192 52.604 0.00 0.00 0.056 A ATOM 27 C UNL d 1 111.715 89.028 51.753 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 110.269 89.768 52.323 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 112.164 89.245 50.459 0.00 0.00 0.138 A ATOM 30 F UNL d 1 111.492 90.053 49.626 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 113.320 88.621 49.999 0.00 0.00 0.046 A ATOM 32 C UNL d 1 114.046 87.787 50.851 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8