REMARK VINA RESULT: -8.3 0.000 0.000 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 1 111.132 86.731 57.441 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 110.308 84.857 56.254 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 114.525 86.990 54.972 0.00 0.00 0.103 C ATOM 4 C UNL d 1 112.366 85.916 55.549 0.00 0.00 0.042 C ATOM 5 C UNL d 1 113.489 86.091 54.679 0.00 0.00 0.057 C ATOM 6 C UNL d 1 114.452 87.645 56.208 0.00 0.00 0.103 C ATOM 7 C UNL d 1 112.212 86.753 56.652 0.00 0.00 0.075 C ATOM 8 C UNL d 1 113.272 87.573 56.977 0.00 0.00 0.072 C ATOM 9 C UNL d 1 111.402 84.895 55.469 0.00 0.00 0.142 C ATOM 10 C UNL d 1 110.201 85.805 57.178 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 115.606 87.172 54.124 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 115.598 88.403 53.376 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 114.767 88.384 52.077 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 113.387 89.066 51.955 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 112.172 88.378 52.446 0.00 0.00 0.092 N ATOM 16 C UNL d 1 111.801 87.198 51.635 0.00 0.00 0.298 C ATOM 17 C UNL d 1 111.418 87.548 50.190 0.00 0.00 0.198 C ATOM 18 O UNL d 1 110.319 88.468 50.144 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 110.574 89.645 50.922 0.00 0.00 0.198 C ATOM 20 C UNL d 1 110.987 89.293 52.367 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 1 115.414 88.394 56.831 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 115.056 89.035 58.044 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 111.673 83.773 54.662 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 112.436 83.215 55.003 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 111.303 83.585 53.322 0.00 0.00 0.035 A ATOM 26 C UNL d 1 112.249 83.593 52.283 0.00 0.00 0.056 A ATOM 27 C UNL d 1 111.855 83.427 50.953 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 113.048 83.424 49.711 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 110.510 83.274 50.650 0.00 0.00 0.138 A ATOM 30 F UNL d 1 110.108 83.101 49.383 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 109.552 83.305 51.659 0.00 0.00 0.046 A ATOM 32 C UNL d 1 109.946 83.469 52.988 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8