REMARK VINA RESULT: -9.0 2.539 3.705 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 0.317 -1.409 5.600 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -1.462 -2.783 6.340 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 2.257 -4.656 3.764 0.00 0.00 0.103 C ATOM 4 C UNL d 1 0.326 -3.739 5.019 0.00 0.00 0.042 C ATOM 5 C UNL d 1 0.973 -4.800 4.309 0.00 0.00 0.057 C ATOM 6 C UNL d 1 2.915 -3.448 4.028 0.00 0.00 0.103 C ATOM 7 C UNL d 1 0.915 -2.478 5.060 0.00 0.00 0.075 C ATOM 8 C UNL d 1 2.209 -2.368 4.596 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -0.846 -3.848 5.791 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -0.874 -1.603 6.181 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 2.881 -5.677 3.063 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 4.178 -6.058 3.560 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 4.642 -7.478 3.180 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 4.512 -8.686 4.133 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 3.202 -9.019 4.736 0.00 0.00 0.092 N ATOM 16 C UNL d 1 2.864 -8.174 5.901 0.00 0.00 0.298 C ATOM 17 C UNL d 1 3.825 -8.355 7.086 0.00 0.00 0.198 C ATOM 18 O UNL d 1 3.859 -9.716 7.534 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 4.161 -10.623 6.465 0.00 0.00 0.198 C ATOM 20 C UNL d 1 3.214 -10.423 5.264 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 4.229 -3.130 3.809 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 4.530 -2.360 2.658 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.299 -5.130 6.154 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.930 -5.860 5.570 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.438 -5.443 6.911 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.154 -4.460 7.614 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.272 -4.797 8.380 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.133 -3.560 9.212 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -4.669 -6.123 8.467 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -5.746 -6.472 9.186 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -3.950 -7.119 7.812 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -2.834 -6.781 7.045 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8