REMARK VINA RESULT: -4.5 3.744 5.250 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 23.601 -34.389 -2.623 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 23.105 -33.270 -0.598 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 20.030 -33.061 -4.404 0.00 0.00 0.103 C ATOM 4 C UNL d 1 21.586 -33.091 -2.473 0.00 0.00 0.042 C ATOM 5 C UNL d 1 20.424 -32.590 -3.143 0.00 0.00 0.057 C ATOM 6 C UNL d 1 20.782 -34.116 -4.938 0.00 0.00 0.103 C ATOM 7 C UNL d 1 22.437 -33.971 -3.136 0.00 0.00 0.075 C ATOM 8 C UNL d 1 22.001 -34.491 -4.337 0.00 0.00 0.072 C ATOM 9 C UNL d 1 21.938 -32.859 -1.131 0.00 0.00 0.142 C ATOM 10 C UNL d 1 23.905 -33.981 -1.385 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 18.915 -32.567 -5.061 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 19.049 -31.228 -5.575 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 17.985 -30.223 -5.089 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 18.153 -29.378 -3.808 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 17.058 -29.312 -2.813 0.00 0.00 0.092 N ATOM 16 C UNL d 1 17.502 -28.824 -1.489 0.00 0.00 0.298 C ATOM 17 C UNL d 1 18.512 -29.756 -0.803 0.00 0.00 0.198 C ATOM 18 O UNL d 1 17.975 -31.073 -0.622 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 17.496 -31.629 -1.854 0.00 0.00 0.198 C ATOM 20 C UNL d 1 16.503 -30.681 -2.557 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 20.496 -34.897 -6.026 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 21.580 -35.280 -6.855 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 20.966 -32.331 -0.259 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 20.486 -31.533 -0.638 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 20.884 -32.517 1.129 0.00 0.00 0.035 A ATOM 26 C UNL d 1 20.557 -33.762 1.693 0.00 0.00 0.056 A ATOM 27 C UNL d 1 20.459 -33.918 3.077 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 20.074 -35.464 3.729 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 20.663 -32.825 3.907 0.00 0.00 0.138 A ATOM 30 F UNL d 1 20.586 -32.952 5.240 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 20.947 -31.574 3.368 0.00 0.00 0.046 A ATOM 32 C UNL d 1 21.047 -31.419 1.985 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8