REMARK VINA RESULT: -6.2 3.831 6.501 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 10.526 1.572 -7.442 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 10.502 3.915 -7.775 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 14.504 1.276 -8.772 0.00 0.00 0.103 C ATOM 4 C UNL d 1 12.520 2.658 -8.225 0.00 0.00 0.042 C ATOM 5 C UNL d 1 13.899 2.527 -8.588 0.00 0.00 0.057 C ATOM 6 C UNL d 1 13.667 0.156 -8.670 0.00 0.00 0.103 C ATOM 7 C UNL d 1 11.781 1.521 -7.905 0.00 0.00 0.075 C ATOM 8 C UNL d 1 12.357 0.296 -8.168 0.00 0.00 0.072 C ATOM 9 C UNL d 1 11.765 3.845 -8.238 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.954 2.779 -7.356 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 15.842 1.145 -9.110 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 16.579 2.381 -9.183 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 17.045 2.792 -10.594 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 16.138 3.545 -11.591 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 16.700 4.616 -12.444 0.00 0.00 0.092 N ATOM 16 C UNL d 1 16.500 5.971 -11.887 0.00 0.00 0.298 C ATOM 17 C UNL d 1 15.022 6.375 -11.784 0.00 0.00 0.198 C ATOM 18 O UNL d 1 14.373 6.333 -13.062 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 14.528 5.056 -13.697 0.00 0.00 0.198 C ATOM 20 C UNL d 1 16.011 4.636 -13.776 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 13.940 -1.142 -9.009 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 12.930 -2.105 -8.762 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 12.279 4.965 -8.920 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 12.844 5.557 -8.337 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 11.795 5.526 -10.110 0.00 0.00 0.035 A ATOM 26 C UNL d 1 11.518 4.742 -11.243 0.00 0.00 0.056 A ATOM 27 C UNL d 1 11.058 5.326 -12.425 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 10.713 4.326 -13.784 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 10.893 6.701 -12.492 0.00 0.00 0.138 A ATOM 30 F UNL d 1 10.442 7.285 -13.611 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 11.201 7.502 -11.396 0.00 0.00 0.046 A ATOM 32 C UNL d 1 11.659 6.918 -10.214 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8