REMARK VINA RESULT: -6.1 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 17.164 44.468 25.056 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 16.497 42.724 26.510 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 13.451 46.405 25.438 0.00 0.00 0.103 C ATOM 4 C UNL d 1 14.981 44.554 26.055 0.00 0.00 0.042 C ATOM 5 C UNL d 1 13.764 45.288 26.226 0.00 0.00 0.057 C ATOM 6 C UNL d 1 14.350 46.715 24.409 0.00 0.00 0.103 C ATOM 7 C UNL d 1 15.955 45.030 25.181 0.00 0.00 0.075 C ATOM 8 C UNL d 1 15.607 46.077 24.353 0.00 0.00 0.072 C ATOM 9 C UNL d 1 15.287 43.304 26.624 0.00 0.00 0.142 C ATOM 10 C UNL d 1 17.397 43.356 25.765 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 12.280 47.126 25.612 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 12.130 47.751 26.901 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 10.825 47.417 27.651 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 10.392 45.972 27.980 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 10.320 45.521 29.388 0.00 0.00 0.092 N ATOM 16 C UNL d 1 11.604 45.656 30.110 0.00 0.00 0.298 C ATOM 17 C UNL d 1 12.721 44.770 29.538 0.00 0.00 0.198 C ATOM 18 O UNL d 1 12.357 43.384 29.559 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 11.107 43.150 28.896 0.00 0.00 0.198 C ATOM 20 C UNL d 1 9.991 44.059 29.451 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 14.188 47.599 23.376 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 15.226 48.538 23.154 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 14.243 42.544 27.186 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 14.239 42.561 28.191 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 13.518 41.515 26.568 0.00 0.00 0.035 A ATOM 26 C UNL d 1 12.931 40.473 27.306 0.00 0.00 0.056 A ATOM 27 C UNL d 1 12.233 39.446 26.667 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 11.514 38.198 27.610 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 12.135 39.441 25.284 0.00 0.00 0.138 A ATOM 30 F UNL d 1 11.460 38.472 24.648 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 12.743 40.440 24.530 0.00 0.00 0.046 A ATOM 32 C UNL d 1 13.440 41.467 25.169 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8