REMARK VINA RESULT: -7.1 3.553 6.063 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 -6.926 -3.647 -1.386 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -5.305 -1.942 -1.638 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -4.668 -5.558 1.602 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -4.977 -3.676 0.017 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -4.281 -4.309 1.096 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.719 -6.202 0.937 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.158 -4.239 -0.464 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -6.484 -5.503 -0.020 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -4.544 -2.552 -0.708 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -6.483 -2.494 -1.904 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -4.004 -6.165 2.656 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.646 -6.038 3.939 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.928 -5.124 4.953 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -3.618 -3.638 4.669 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -2.292 -3.077 5.013 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -1.999 -1.804 4.320 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -1.908 -1.949 2.793 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.897 -2.891 2.412 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -1.082 -4.161 3.053 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -1.202 -4.014 4.584 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 -6.149 -7.494 1.077 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -7.216 -7.731 1.980 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -3.200 -2.147 -0.589 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -3.094 -1.261 -0.127 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.110 -2.600 -1.346 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -2.240 -3.630 -2.293 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -1.136 -4.080 -3.020 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -1.342 -5.332 -4.184 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 0.112 -3.520 -2.789 0.00 0.00 0.138 A ATOM 30 F UNL d 1 1.185 -3.926 -3.482 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 0.272 -2.527 -1.827 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -0.833 -2.076 -1.102 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8