REMARK VINA RESULT: -6.9 4.324 8.221 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 4.190 0.923 8.559 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 4.564 2.984 9.661 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 0.910 0.027 11.033 0.00 0.00 0.103 C ATOM 4 C UNL d 1 2.711 1.581 10.333 0.00 0.00 0.042 C ATOM 5 C UNL d 1 1.538 1.280 11.096 0.00 0.00 0.057 C ATOM 6 C UNL d 1 1.542 -0.949 10.252 0.00 0.00 0.103 C ATOM 7 C UNL d 1 3.174 0.665 9.392 0.00 0.00 0.075 C ATOM 8 C UNL d 1 2.604 -0.591 9.396 0.00 0.00 0.072 C ATOM 9 C UNL d 1 3.540 2.707 10.491 0.00 0.00 0.142 C ATOM 10 C UNL d 1 4.816 2.098 8.703 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -0.234 -0.262 11.760 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -1.113 0.855 11.991 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -2.097 1.171 10.846 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -3.405 0.383 10.622 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -3.764 -0.091 9.266 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -4.891 -1.049 9.263 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -4.577 -2.362 9.997 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -3.442 -3.026 9.427 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -2.295 -2.168 9.367 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.617 -0.838 8.654 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 1.274 -2.290 10.187 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 2.244 -3.174 10.722 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 3.410 3.484 11.658 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 3.566 2.959 12.501 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 2.735 4.706 11.791 0.00 0.00 0.035 A ATOM 26 C UNL d 1 3.254 5.901 11.265 0.00 0.00 0.056 A ATOM 27 C UNL d 1 2.576 7.111 11.429 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 3.237 8.550 10.753 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 1.385 7.139 12.140 0.00 0.00 0.138 A ATOM 30 F UNL d 1 0.709 8.285 12.301 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 0.874 5.975 12.704 0.00 0.00 0.046 A ATOM 32 C UNL d 1 1.551 4.765 12.539 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8