REMARK VINA RESULT: -4.8 1.706 1.955 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 21.039 -32.655 2.358 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 20.128 -30.499 2.016 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 21.933 -33.087 -1.728 0.00 0.00 0.103 C ATOM 4 C UNL d 1 21.063 -31.718 0.147 0.00 0.00 0.042 C ATOM 5 C UNL d 1 21.461 -31.869 -1.220 0.00 0.00 0.057 C ATOM 6 C UNL d 1 21.910 -34.180 -0.851 0.00 0.00 0.103 C ATOM 7 C UNL d 1 21.273 -32.762 1.044 0.00 0.00 0.075 C ATOM 8 C UNL d 1 21.658 -33.979 0.522 0.00 0.00 0.072 C ATOM 9 C UNL d 1 20.371 -30.624 0.697 0.00 0.00 0.142 C ATOM 10 C UNL d 1 20.514 -31.504 2.794 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 22.333 -33.232 -3.048 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 21.330 -33.757 -3.938 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 19.946 -33.082 -3.850 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 19.636 -31.717 -4.502 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 19.331 -31.636 -5.948 0.00 0.00 0.092 N ATOM 16 C UNL d 1 18.975 -30.272 -6.394 0.00 0.00 0.298 C ATOM 17 C UNL d 1 17.682 -29.740 -5.756 0.00 0.00 0.198 C ATOM 18 O UNL d 1 16.566 -30.593 -6.039 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 16.822 -31.952 -5.658 0.00 0.00 0.198 C ATOM 20 C UNL d 1 18.134 -32.478 -6.276 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 22.104 -35.505 -1.139 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 23.427 -36.004 -1.043 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 19.753 -29.707 -0.176 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 20.049 -28.758 -0.027 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 18.561 -29.892 -0.892 0.00 0.00 0.035 A ATOM 26 C UNL d 1 18.077 -31.172 -1.209 0.00 0.00 0.056 A ATOM 27 C UNL d 1 16.899 -31.331 -1.943 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 16.330 -32.918 -2.295 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 16.210 -30.212 -2.385 0.00 0.00 0.138 A ATOM 30 F UNL d 1 15.070 -30.339 -3.081 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 16.693 -28.935 -2.118 0.00 0.00 0.046 A ATOM 32 C UNL d 1 17.869 -28.776 -1.383 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8