REMARK VINA RESULT: -5.7 4.074 7.667 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 10.137 -2.712 -8.151 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 8.734 -3.647 -9.811 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 9.734 -6.100 -5.693 0.00 0.00 0.103 C ATOM 4 C UNL d 1 9.249 -4.919 -7.818 0.00 0.00 0.042 C ATOM 5 C UNL d 1 9.207 -6.088 -6.992 0.00 0.00 0.057 C ATOM 6 C UNL d 1 10.225 -4.881 -5.207 0.00 0.00 0.103 C ATOM 7 C UNL d 1 9.952 -3.796 -7.387 0.00 0.00 0.075 C ATOM 8 C UNL d 1 10.393 -3.788 -6.080 0.00 0.00 0.072 C ATOM 9 C UNL d 1 8.559 -4.730 -9.029 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.551 -2.705 -9.354 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 9.708 -7.235 -4.897 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 8.883 -7.140 -3.721 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 7.926 -8.326 -3.485 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 6.587 -8.186 -2.730 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 5.888 -6.881 -2.692 0.00 0.00 0.092 N ATOM 16 C UNL d 1 5.914 -6.245 -1.357 0.00 0.00 0.298 C ATOM 17 C UNL d 1 5.165 -7.050 -0.284 0.00 0.00 0.198 C ATOM 18 O UNL d 1 3.791 -7.253 -0.641 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 3.659 -7.851 -1.937 0.00 0.00 0.198 C ATOM 20 C UNL d 1 4.434 -7.059 -3.011 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 10.589 -4.562 -3.925 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 11.295 -3.349 -3.733 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 7.515 -5.617 -9.357 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 7.834 -6.444 -9.833 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 6.150 -5.316 -9.461 0.00 0.00 0.035 A ATOM 26 C UNL d 1 5.665 -4.006 -9.308 0.00 0.00 0.056 A ATOM 27 C UNL d 1 4.298 -3.733 -9.392 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 3.747 -2.111 -9.218 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 3.403 -4.770 -9.607 0.00 0.00 0.138 A ATOM 30 F UNL d 1 2.087 -4.532 -9.704 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 3.857 -6.081 -9.720 0.00 0.00 0.046 A ATOM 32 C UNL d 1 5.223 -6.353 -9.638 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8