REMARK VINA RESULT: -5.2 1.995 2.593 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 46.843 61.592 58.403 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 44.857 60.708 59.338 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 44.715 64.556 56.313 0.00 0.00 0.103 C ATOM 4 C UNL d 1 44.746 62.647 57.895 0.00 0.00 0.042 C ATOM 5 C UNL d 1 44.068 63.722 57.237 0.00 0.00 0.057 C ATOM 6 C UNL d 1 46.039 64.227 55.997 0.00 0.00 0.103 C ATOM 7 C UNL d 1 46.121 62.496 57.730 0.00 0.00 0.075 C ATOM 8 C UNL d 1 46.731 63.264 56.760 0.00 0.00 0.072 C ATOM 9 C UNL d 1 44.146 61.625 58.653 0.00 0.00 0.142 C ATOM 10 C UNL d 1 46.178 60.761 59.216 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 44.065 65.607 55.686 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 42.663 65.731 55.991 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 42.262 67.005 56.762 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 42.647 68.425 56.292 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 42.065 68.980 55.050 0.00 0.00 0.092 N ATOM 16 C UNL d 1 42.920 68.773 53.861 0.00 0.00 0.298 C ATOM 17 C UNL d 1 44.269 69.503 53.947 0.00 0.00 0.198 C ATOM 18 O UNL d 1 44.093 70.916 54.112 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 43.255 71.222 55.236 0.00 0.00 0.198 C ATOM 20 C UNL d 1 41.912 70.467 55.165 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 46.821 64.726 54.989 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 48.203 64.411 55.021 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 42.753 61.440 58.555 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 42.449 61.217 57.623 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 41.774 61.900 59.447 0.00 0.00 0.035 A ATOM 26 C UNL d 1 40.411 61.927 59.105 0.00 0.00 0.056 A ATOM 27 C UNL d 1 39.456 62.410 60.001 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 37.795 62.409 59.548 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 39.858 62.892 61.238 0.00 0.00 0.138 A ATOM 30 F UNL d 1 38.959 63.351 62.120 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 41.205 62.913 61.582 0.00 0.00 0.046 A ATOM 32 C UNL d 1 42.160 62.428 60.687 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8