REMARK VINA RESULT: -6.9 4.181 7.621 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 4.930 0.972 11.719 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 3.862 2.995 12.323 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 1.648 -0.234 9.382 0.00 0.00 0.103 C ATOM 4 C UNL d 1 2.755 1.456 10.820 0.00 0.00 0.042 C ATOM 5 C UNL d 1 1.696 1.049 9.947 0.00 0.00 0.057 C ATOM 6 C UNL d 1 2.643 -1.132 9.788 0.00 0.00 0.103 C ATOM 7 C UNL d 1 3.849 0.614 11.015 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.754 -0.672 10.525 0.00 0.00 0.072 C ATOM 9 C UNL d 1 2.783 2.619 11.610 0.00 0.00 0.142 C ATOM 10 C UNL d 1 4.905 2.173 12.309 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 0.631 -0.625 8.525 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.179 -1.720 8.994 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -1.629 -1.743 8.470 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.517 -0.482 8.404 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -3.112 0.073 9.640 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -4.278 0.946 9.385 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -3.928 2.214 8.591 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -2.937 3.001 9.266 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -1.767 2.234 9.577 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.121 0.946 10.350 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 2.710 -2.482 9.569 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 3.712 -2.949 8.681 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 1.583 3.330 11.807 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 0.769 2.823 11.504 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 1.438 4.714 11.980 0.00 0.00 0.035 A ATOM 26 C UNL d 1 0.366 5.264 12.701 0.00 0.00 0.056 A ATOM 27 C UNL d 1 0.229 6.647 12.840 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -1.090 7.280 13.748 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 1.151 7.491 12.240 0.00 0.00 0.138 A ATOM 30 F UNL d 1 1.048 8.822 12.369 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 2.198 6.970 11.486 0.00 0.00 0.046 A ATOM 32 C UNL d 1 2.335 5.587 11.348 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8