REMARK VINA RESULT: -3.6 1.743 2.136 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 7.518 -17.632 8.759 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 3.706 -15.782 5.734 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 7.420 -12.653 10.053 0.00 0.00 0.164 C ATOM 4 C UNL d 1 6.168 -10.688 9.019 0.00 0.00 0.127 C ATOM 5 C UNL d 1 6.602 -11.386 10.313 0.00 0.00 0.083 C ATOM 6 C UNL d 1 5.166 -11.611 8.321 0.00 0.00 0.088 C ATOM 7 C UNL d 1 6.826 -13.485 8.910 0.00 0.00 0.014 A ATOM 8 C UNL d 1 5.710 -13.027 8.167 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 7.280 -14.806 8.694 0.00 0.00 0.090 A ATOM 10 C UNL d 1 5.045 -13.919 7.308 0.00 0.00 0.088 A ATOM 11 C UNL d 1 6.582 -15.711 7.862 0.00 0.00 0.066 A ATOM 12 C UNL d 1 5.472 -15.252 7.159 0.00 0.00 0.066 A ATOM 13 C UNL d 1 6.906 -17.161 7.811 0.00 0.00 0.200 C ATOM 14 C UNL d 1 4.731 -16.170 6.285 0.00 0.00 0.197 C ATOM 15 C UNL d 1 6.353 -18.050 6.752 0.00 0.00 0.062 A ATOM 16 C UNL d 1 5.241 -17.541 6.049 0.00 0.00 0.032 A ATOM 17 C UNL d 1 6.776 -19.366 6.454 0.00 0.00 0.083 A ATOM 18 C UNL d 1 4.544 -18.313 5.103 0.00 0.00 0.017 A ATOM 19 C UNL d 1 6.054 -20.114 5.496 0.00 0.00 0.038 A ATOM 20 C UNL d 1 4.947 -19.607 4.830 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 8.838 -12.412 9.863 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 9.168 -11.526 8.764 0.00 0.00 0.263 C ATOM 23 O UNL d 1 9.280 -12.215 7.509 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 10.483 -12.964 7.304 0.00 0.00 0.151 C ATOM 25 C UNL d 1 11.732 -12.078 7.478 0.00 0.00 0.179 C ATOM 26 C UNL d 1 10.422 -13.573 5.902 0.00 0.00 0.042 C ATOM 27 C UNL d 1 11.675 -11.442 8.881 0.00 0.00 0.253 C ATOM 28 C UNL d 1 10.387 -10.629 9.008 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 11.790 -11.036 6.488 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 11.685 -11.451 5.612 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 12.822 -10.566 9.148 0.00 0.00 0.085 N ATOM 32 H UNL d 1 13.606 -10.853 8.561 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 12.588 -9.625 8.815 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 5.511 -9.351 9.415 0.00 0.00 0.184 C ATOM 35 O UNL d 1 4.632 -9.287 10.286 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 5.937 -8.082 8.691 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 5.663 -8.200 7.296 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 4.723 -7.955 7.180 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 7.264 -10.432 8.141 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 7.760 -11.253 7.959 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 8.439 -15.202 9.311 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 8.564 -16.157 9.160 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 3.930 -13.439 6.665 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 3.621 -14.117 6.020 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 7.801 -20.148 6.899 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 7.683 -21.104 7.931 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11