REMARK VINA RESULT: -1.6 0.000 0.000 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 9.479 -3.340 -8.177 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 12.024 -3.632 -3.644 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 7.025 -7.185 -5.794 0.00 0.00 0.164 C ATOM 4 C UNL d 1 7.573 -8.427 -3.636 0.00 0.00 0.127 C ATOM 5 C UNL d 1 6.480 -7.781 -4.494 0.00 0.00 0.083 C ATOM 6 C UNL d 1 8.488 -7.302 -3.146 0.00 0.00 0.088 C ATOM 7 C UNL d 1 8.343 -6.437 -5.563 0.00 0.00 0.014 A ATOM 8 C UNL d 1 8.970 -6.421 -4.293 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 8.865 -5.603 -6.580 0.00 0.00 0.090 A ATOM 10 C UNL d 1 10.028 -5.525 -4.061 0.00 0.00 0.088 A ATOM 11 C UNL d 1 9.900 -4.675 -6.329 0.00 0.00 0.066 A ATOM 12 C UNL d 1 10.488 -4.654 -5.067 0.00 0.00 0.066 A ATOM 13 C UNL d 1 10.294 -3.633 -7.313 0.00 0.00 0.200 C ATOM 14 C UNL d 1 11.568 -3.702 -4.781 0.00 0.00 0.197 C ATOM 15 C UNL d 1 11.544 -2.839 -7.155 0.00 0.00 0.062 A ATOM 16 C UNL d 1 12.120 -2.860 -5.868 0.00 0.00 0.032 A ATOM 17 C UNL d 1 12.144 -2.012 -8.133 0.00 0.00 0.083 A ATOM 18 C UNL d 1 13.234 -2.066 -5.540 0.00 0.00 0.017 A ATOM 19 C UNL d 1 13.264 -1.231 -7.771 0.00 0.00 0.038 A ATOM 20 C UNL d 1 13.804 -1.243 -6.492 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 7.132 -8.139 -6.882 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 8.410 -8.814 -6.983 0.00 0.00 0.263 C ATOM 23 O UNL d 1 9.360 -8.089 -7.779 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 9.179 -8.157 -9.198 0.00 0.00 0.151 C ATOM 25 C UNL d 1 9.156 -9.618 -9.691 0.00 0.00 0.179 C ATOM 26 C UNL d 1 10.313 -7.365 -9.853 0.00 0.00 0.042 C ATOM 27 C UNL d 1 8.043 -10.362 -8.927 0.00 0.00 0.253 C ATOM 28 C UNL d 1 8.328 -10.280 -7.427 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 10.412 -10.279 -9.461 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 10.409 -10.614 -8.545 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 7.941 -11.773 -9.317 0.00 0.00 0.085 N ATOM 32 H UNL d 1 8.834 -12.235 -9.138 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 7.287 -12.234 -8.677 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 6.877 -9.132 -2.456 0.00 0.00 0.184 C ATOM 35 O UNL d 1 7.351 -10.146 -1.927 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 5.551 -8.578 -1.950 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 5.786 -7.582 -0.956 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 4.919 -7.400 -0.541 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 8.348 -9.380 -4.364 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 7.782 -10.094 -4.710 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 8.344 -5.720 -7.843 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 8.850 -6.398 -8.328 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 10.553 -5.507 -2.792 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 9.825 -5.663 -2.146 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 11.886 -1.775 -9.452 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 10.679 -1.231 -9.941 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11