REMARK VINA RESULT: -6.5 4.833 9.308 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 0.999 6.034 3.194 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 0.208 6.584 5.355 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 4.543 4.389 4.749 0.00 0.00 0.103 C ATOM 4 C UNL d 1 2.329 5.447 5.106 0.00 0.00 0.042 C ATOM 5 C UNL d 1 3.507 4.801 5.600 0.00 0.00 0.057 C ATOM 6 C UNL d 1 4.408 4.723 3.395 0.00 0.00 0.103 C ATOM 7 C UNL d 1 2.127 5.552 3.732 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.183 5.222 2.908 0.00 0.00 0.072 C ATOM 9 C UNL d 1 1.349 6.096 5.879 0.00 0.00 0.142 C ATOM 10 C UNL d 1 0.066 6.491 4.038 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 5.678 3.750 5.223 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 5.476 2.399 5.680 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 6.550 1.384 5.241 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 7.337 1.514 3.920 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 8.751 1.951 3.937 0.00 0.00 0.092 N ATOM 16 C UNL d 1 8.951 3.253 4.609 0.00 0.00 0.298 C ATOM 17 C UNL d 1 8.256 4.421 3.894 0.00 0.00 0.198 C ATOM 18 O UNL d 1 8.712 4.557 2.541 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 8.577 3.333 1.806 0.00 0.00 0.198 C ATOM 20 C UNL d 1 9.251 2.154 2.538 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 5.347 4.639 2.402 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 5.400 3.435 1.656 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 1.643 6.406 7.221 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 2.435 5.899 7.579 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 0.780 6.980 8.165 0.00 0.00 0.035 A ATOM 26 C UNL d 1 0.746 8.366 8.394 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -0.105 8.913 9.356 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -0.130 10.619 9.592 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -0.913 8.077 10.113 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -1.747 8.579 11.034 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -0.865 6.699 9.932 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -0.015 6.151 8.969 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8