REMARK VINA RESULT: -7.4 0.000 0.000 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 26.335 78.740 103.503 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 27.512 79.261 101.517 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 29.376 76.141 104.798 0.00 0.00 0.103 C ATOM 4 C UNL d 1 28.497 77.760 103.139 0.00 0.00 0.042 C ATOM 5 C UNL d 1 29.547 76.934 103.655 0.00 0.00 0.057 C ATOM 6 C UNL d 1 28.093 76.125 105.361 0.00 0.00 0.103 C ATOM 7 C UNL d 1 27.312 77.897 103.858 0.00 0.00 0.075 C ATOM 8 C UNL d 1 27.122 77.053 104.932 0.00 0.00 0.072 C ATOM 9 C UNL d 1 28.485 78.408 101.891 0.00 0.00 0.142 C ATOM 10 C UNL d 1 26.500 79.422 102.363 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 30.395 75.352 105.308 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 31.271 74.770 104.324 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 32.527 74.071 104.884 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 33.642 74.829 105.637 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 33.749 76.301 105.522 0.00 0.00 0.092 N ATOM 16 C UNL d 1 35.145 76.778 105.421 0.00 0.00 0.298 C ATOM 17 C UNL d 1 35.981 76.485 106.676 0.00 0.00 0.198 C ATOM 18 O UNL d 1 35.404 77.081 107.845 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 34.034 76.693 108.021 0.00 0.00 0.198 C ATOM 20 C UNL d 1 33.200 76.961 106.751 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 27.600 75.291 106.328 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 26.463 75.732 107.051 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 29.430 78.022 100.920 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 29.270 77.098 100.558 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 30.706 78.567 100.717 0.00 0.00 0.035 A ATOM 26 C UNL d 1 31.863 77.964 101.239 0.00 0.00 0.056 A ATOM 27 C UNL d 1 33.121 78.537 101.044 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 34.515 77.756 101.685 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 33.230 79.730 100.346 0.00 0.00 0.138 A ATOM 30 F UNL d 1 34.428 80.295 100.135 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 32.094 80.367 99.856 0.00 0.00 0.046 A ATOM 32 C UNL d 1 30.837 79.793 100.049 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8