REMARK VINA RESULT: 3.6 3.231 8.312 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 30.437 8.136 27.122 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 31.089 2.971 27.110 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 35.472 7.671 28.079 0.00 0.00 0.164 C ATOM 4 C UNL d 1 36.884 5.614 28.602 0.00 0.00 0.127 C ATOM 5 C UNL d 1 36.787 6.932 27.826 0.00 0.00 0.083 C ATOM 6 C UNL d 1 35.835 4.666 28.018 0.00 0.00 0.088 C ATOM 7 C UNL d 1 34.277 6.711 28.087 0.00 0.00 0.014 A ATOM 8 C UNL d 1 34.455 5.310 27.963 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 32.961 7.226 28.045 0.00 0.00 0.090 A ATOM 10 C UNL d 1 33.335 4.495 27.721 0.00 0.00 0.088 A ATOM 11 C UNL d 1 31.845 6.408 27.759 0.00 0.00 0.066 A ATOM 12 C UNL d 1 32.040 5.037 27.613 0.00 0.00 0.066 A ATOM 13 C UNL d 1 30.497 6.967 27.476 0.00 0.00 0.200 C ATOM 14 C UNL d 1 30.898 4.164 27.319 0.00 0.00 0.197 C ATOM 15 C UNL d 1 29.283 6.104 27.438 0.00 0.00 0.062 A ATOM 16 C UNL d 1 29.524 4.720 27.310 0.00 0.00 0.032 A ATOM 17 C UNL d 1 27.939 6.544 27.428 0.00 0.00 0.083 A ATOM 18 C UNL d 1 28.476 3.796 27.145 0.00 0.00 0.017 A ATOM 19 C UNL d 1 26.911 5.589 27.263 0.00 0.00 0.038 A ATOM 20 C UNL d 1 27.165 4.232 27.114 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 35.488 8.519 29.257 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 35.771 7.835 30.502 0.00 0.00 0.263 C ATOM 23 O UNL d 1 34.961 6.664 30.690 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 33.604 6.891 31.090 0.00 0.00 0.151 C ATOM 25 C UNL d 1 33.535 7.736 32.378 0.00 0.00 0.179 C ATOM 26 C UNL d 1 32.938 5.528 31.280 0.00 0.00 0.042 C ATOM 27 C UNL d 1 34.295 9.053 32.128 0.00 0.00 0.253 C ATOM 28 C UNL d 1 35.740 8.729 31.747 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 34.125 7.053 33.498 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 34.176 7.685 34.239 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 34.297 9.932 33.303 0.00 0.00 0.085 N ATOM 32 H UNL d 1 33.342 10.241 33.491 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 34.546 9.369 34.122 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 38.309 5.063 28.398 0.00 0.00 0.184 C ATOM 35 O UNL d 1 39.229 5.317 29.188 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 38.594 4.206 27.172 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 39.117 2.941 27.572 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 39.722 2.656 26.857 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 36.640 5.784 29.999 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 37.479 5.809 30.496 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 32.781 8.562 28.301 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 33.153 9.074 27.560 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 33.576 3.155 27.542 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 34.495 3.041 27.203 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 27.348 7.766 27.558 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 28.013 8.997 27.368 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11