REMARK VINA RESULT: -8.3 3.125 5.330 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 -5.947 -3.181 6.030 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -3.839 -4.253 6.106 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -4.406 0.014 3.772 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -4.087 -2.175 4.891 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.621 -1.114 4.050 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.638 0.096 4.434 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -5.405 -2.169 5.342 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -6.140 -1.020 5.134 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.310 -3.226 5.413 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.144 -4.205 6.346 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.963 1.036 2.947 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -2.548 1.037 2.677 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -2.158 1.018 1.185 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -0.719 0.745 0.698 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.446 -0.387 -0.216 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -0.240 -1.670 0.490 0.00 0.00 0.298 C ATOM 17 C UNL d 1 1.000 -1.675 1.397 0.00 0.00 0.198 C ATOM 18 O UNL d 1 2.195 -1.391 0.657 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 2.087 -0.168 -0.083 0.00 0.00 0.198 C ATOM 20 C UNL d 1 0.826 -0.151 -0.973 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 -6.490 1.165 4.515 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -7.419 1.339 3.459 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.907 -3.117 5.364 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -1.472 -3.852 4.833 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -1.083 -2.400 6.244 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -0.841 -1.026 6.081 0.00 0.00 0.056 A ATOM 27 C UNL d 1 0.002 -0.337 6.956 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 0.257 1.351 6.732 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 0.627 -1.021 7.987 0.00 0.00 0.138 A ATOM 30 F UNL d 1 1.431 -0.381 8.848 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 0.435 -2.391 8.143 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -0.409 -3.079 7.269 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8