REMARK VINA RESULT: -7.0 3.159 6.897 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 33.675 78.543 100.715 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 34.062 77.130 102.573 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 29.507 78.106 101.066 0.00 0.00 0.103 C ATOM 4 C UNL d 1 31.794 77.633 101.900 0.00 0.00 0.042 C ATOM 5 C UNL d 1 30.370 77.579 102.038 0.00 0.00 0.057 C ATOM 6 C UNL d 1 30.108 78.610 99.905 0.00 0.00 0.103 C ATOM 7 C UNL d 1 32.357 78.347 100.844 0.00 0.00 0.075 C ATOM 8 C UNL d 1 31.506 78.789 99.853 0.00 0.00 0.072 C ATOM 9 C UNL d 1 32.733 76.944 102.688 0.00 0.00 0.142 C ATOM 10 C UNL d 1 34.471 77.957 101.618 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 28.128 78.069 101.204 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 27.562 79.133 101.993 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 26.706 78.685 103.194 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 26.591 77.211 103.638 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 26.755 76.849 105.064 0.00 0.00 0.092 N ATOM 16 C UNL d 1 27.874 77.560 105.721 0.00 0.00 0.298 C ATOM 17 C UNL d 1 29.249 77.209 105.132 0.00 0.00 0.198 C ATOM 18 O UNL d 1 29.517 75.803 105.222 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 28.473 75.021 104.626 0.00 0.00 0.198 C ATOM 20 C UNL d 1 27.088 75.392 105.197 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 29.510 78.977 98.729 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 29.063 80.317 98.617 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 32.284 75.891 103.509 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 31.284 75.780 103.498 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 32.974 75.296 104.575 0.00 0.00 0.035 A ATOM 26 C UNL d 1 33.739 76.052 105.479 0.00 0.00 0.056 A ATOM 27 C UNL d 1 34.436 75.435 106.520 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 35.347 76.400 107.617 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 34.393 74.055 106.651 0.00 0.00 0.138 A ATOM 30 F UNL d 1 35.044 73.440 107.649 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 33.675 73.283 105.743 0.00 0.00 0.046 A ATOM 32 C UNL d 1 32.977 73.900 104.703 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8