REMARK VINA RESULT: -7.0 2.934 5.280 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 -1.994 -0.525 -0.152 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -2.447 -0.744 2.160 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 0.319 -4.036 -0.183 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -1.124 -2.426 1.030 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -0.402 -3.660 0.959 0.00 0.00 0.057 C ATOM 6 C UNL d 1 0.374 -3.099 -1.223 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -1.239 -1.629 -0.107 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -0.461 -1.962 -1.196 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -1.683 -1.853 2.187 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -2.604 -0.153 0.980 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 1.007 -5.237 -0.259 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.223 -6.411 0.024 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -0.206 -7.235 -1.206 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -1.148 -6.683 -2.298 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -2.498 -6.195 -1.937 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -3.587 -7.012 -2.516 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -3.625 -6.978 -4.051 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -3.779 -5.640 -4.545 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -2.775 -4.760 -4.022 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.717 -4.815 -2.481 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 1.168 -3.113 -2.339 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.619 -3.668 -3.522 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.289 -2.350 3.444 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.395 -2.003 3.744 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -1.767 -3.502 4.086 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.135 -3.821 4.118 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -3.591 -4.961 4.783 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.274 -5.325 4.783 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -2.685 -5.779 5.441 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -3.096 -6.886 6.077 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -1.331 -5.461 5.458 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -0.875 -4.322 4.791 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8