REMARK VINA RESULT: -6.2 4.306 8.751 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 34.063 3.382 -40.697 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 32.353 5.016 -40.757 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 32.060 0.968 -43.497 0.00 0.00 0.103 C ATOM 4 C UNL d 1 32.195 3.059 -42.172 0.00 0.00 0.042 C ATOM 5 C UNL d 1 31.588 2.251 -43.186 0.00 0.00 0.057 C ATOM 6 C UNL d 1 33.103 0.477 -42.701 0.00 0.00 0.103 C ATOM 7 C UNL d 1 33.373 2.631 -41.564 0.00 0.00 0.075 C ATOM 8 C UNL d 1 33.782 1.338 -41.815 0.00 0.00 0.072 C ATOM 9 C UNL d 1 31.672 4.247 -41.629 0.00 0.00 0.142 C ATOM 10 C UNL d 1 33.540 4.568 -40.363 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 31.483 0.190 -44.488 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 32.030 -1.135 -44.624 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 32.796 -1.405 -45.934 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 34.295 -1.080 -46.111 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 34.783 0.304 -45.918 0.00 0.00 0.092 N ATOM 16 C UNL d 1 35.178 0.966 -47.180 0.00 0.00 0.298 C ATOM 17 C UNL d 1 36.371 0.292 -47.874 0.00 0.00 0.198 C ATOM 18 O UNL d 1 37.525 0.258 -47.024 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 37.238 -0.352 -45.758 0.00 0.00 0.198 C ATOM 20 C UNL d 1 36.022 0.306 -45.073 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 33.600 -0.798 -42.644 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 34.732 -1.019 -41.820 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 30.319 4.559 -41.865 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 29.728 3.746 -41.907 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 29.807 5.742 -42.417 0.00 0.00 0.035 A ATOM 26 C UNL d 1 30.602 6.890 -42.580 0.00 0.00 0.056 A ATOM 27 C UNL d 1 30.064 8.064 -43.110 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 31.077 9.443 -43.310 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 28.723 8.108 -43.461 0.00 0.00 0.138 A ATOM 30 F UNL d 1 28.186 9.220 -43.984 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 27.908 6.997 -43.270 0.00 0.00 0.046 A ATOM 32 C UNL d 1 28.446 5.822 -42.741 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8