REMARK VINA RESULT: -7.8 3.107 5.116 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 1 113.423 88.824 58.464 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 115.445 88.694 57.241 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 111.925 85.343 56.643 0.00 0.00 0.103 C ATOM 4 C UNL d 1 113.757 86.984 56.957 0.00 0.00 0.042 C ATOM 5 C UNL d 1 113.247 85.757 56.425 0.00 0.00 0.057 C ATOM 6 C UNL d 1 111.097 86.238 57.334 0.00 0.00 0.103 C ATOM 7 C UNL d 1 112.974 87.732 57.833 0.00 0.00 0.075 C ATOM 8 C UNL d 1 111.652 87.364 57.975 0.00 0.00 0.072 C ATOM 9 C UNL d 1 114.976 87.596 56.616 0.00 0.00 0.142 C ATOM 10 C UNL d 1 114.663 89.234 58.170 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 111.433 84.149 56.140 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 110.702 84.258 54.904 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 111.344 83.555 53.691 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 111.087 83.996 52.234 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 110.821 82.983 51.187 0.00 0.00 0.092 N ATOM 16 C UNL d 1 112.052 82.446 50.569 0.00 0.00 0.298 C ATOM 17 C UNL d 1 112.862 83.504 49.804 0.00 0.00 0.198 C ATOM 18 O UNL d 1 112.085 84.111 48.763 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 110.852 84.649 49.262 0.00 0.00 0.198 C ATOM 20 C UNL d 1 110.051 83.595 50.054 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 1 109.738 86.188 57.493 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 109.205 85.077 58.194 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 115.654 87.156 55.463 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 116.655 87.186 55.557 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 115.144 87.079 54.159 0.00 0.00 0.035 A ATOM 26 C UNL d 1 114.824 88.230 53.418 0.00 0.00 0.056 A ATOM 27 C UNL d 1 114.296 88.129 52.129 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 113.935 89.564 51.249 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 114.063 86.878 51.579 0.00 0.00 0.138 A ATOM 30 F UNL d 1 113.567 86.754 50.339 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 114.333 85.725 52.310 0.00 0.00 0.046 A ATOM 32 C UNL d 1 114.863 85.825 53.598 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8