REMARK VINA RESULT: -7.1 2.994 6.107 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 29.502 73.538 104.594 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 31.673 74.098 103.836 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 28.150 77.489 104.100 0.00 0.00 0.103 C ATOM 4 C UNL d 1 29.946 75.793 103.894 0.00 0.00 0.042 C ATOM 5 C UNL d 1 29.424 77.105 103.659 0.00 0.00 0.057 C ATOM 6 C UNL d 1 27.446 76.551 104.866 0.00 0.00 0.103 C ATOM 7 C UNL d 1 29.126 74.815 104.454 0.00 0.00 0.075 C ATOM 8 C UNL d 1 27.909 75.223 104.959 0.00 0.00 0.072 C ATOM 9 C UNL d 1 31.277 75.379 103.701 0.00 0.00 0.142 C ATOM 10 C UNL d 1 30.754 73.226 104.236 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 27.637 78.754 103.861 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 26.688 78.836 102.781 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 27.210 79.493 101.487 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 28.701 79.821 101.257 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 29.292 79.683 99.906 0.00 0.00 0.092 N ATOM 16 C UNL d 1 28.919 78.420 99.233 0.00 0.00 0.298 C ATOM 17 C UNL d 1 29.445 77.168 99.951 0.00 0.00 0.198 C ATOM 18 O UNL d 1 30.874 77.190 100.070 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 31.340 78.393 100.697 0.00 0.00 0.198 C ATOM 20 C UNL d 1 30.789 79.651 99.993 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 26.299 76.736 105.592 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 26.433 77.286 106.891 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 32.272 76.361 103.531 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 32.194 76.856 102.659 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 33.505 76.440 104.194 0.00 0.00 0.035 A ATOM 26 C UNL d 1 33.773 75.695 105.355 0.00 0.00 0.056 A ATOM 27 C UNL d 1 35.000 75.807 106.011 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 35.295 74.863 107.421 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 35.961 76.681 105.525 0.00 0.00 0.138 A ATOM 30 F UNL d 1 37.152 76.797 106.130 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 35.703 77.458 104.401 0.00 0.00 0.046 A ATOM 32 C UNL d 1 34.476 77.345 103.743 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8