REMARK VINA RESULT: -4.4 2.746 4.855 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 -3.816 -16.263 2.422 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -5.742 -15.543 3.593 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.015 -17.669 5.953 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.950 -16.642 4.790 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.340 -17.210 5.955 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -1.284 -17.460 4.775 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -3.268 -16.665 3.576 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -1.941 -17.040 3.601 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -5.175 -15.952 4.745 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.054 -15.757 2.477 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.427 -18.232 7.074 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -2.221 -18.178 8.275 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -2.360 -19.511 9.038 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -3.700 -20.266 9.168 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -4.801 -19.997 8.215 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -6.096 -20.570 8.643 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -6.090 -22.105 8.712 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -5.755 -22.688 7.446 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -4.516 -22.178 6.934 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -4.511 -20.636 6.890 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 0.062 -17.608 4.574 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.539 -17.482 3.245 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -5.750 -15.516 5.954 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -6.602 -15.998 6.183 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -5.516 -14.299 6.611 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -4.771 -13.266 6.018 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.532 -12.071 6.701 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -3.629 -10.823 5.932 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -5.016 -11.910 7.991 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -4.810 -10.768 8.663 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -5.721 -12.935 8.613 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -5.962 -14.129 7.929 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8