REMARK VINA RESULT: -3.2 1.724 2.007 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 16.621 -29.874 -2.869 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 17.472 -34.301 -5.472 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 20.145 -32.205 0.068 0.00 0.00 0.164 C ATOM 4 C UNL d 1 21.103 -34.565 -0.037 0.00 0.00 0.127 C ATOM 5 C UNL d 1 21.400 -33.074 0.161 0.00 0.00 0.083 C ATOM 6 C UNL d 1 20.659 -34.749 -1.490 0.00 0.00 0.088 C ATOM 7 C UNL d 1 19.236 -32.646 -1.085 0.00 0.00 0.014 A ATOM 8 C UNL d 1 19.539 -33.787 -1.868 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 18.168 -31.815 -1.495 0.00 0.00 0.090 A ATOM 10 C UNL d 1 18.829 -34.009 -3.061 0.00 0.00 0.088 A ATOM 11 C UNL d 1 17.487 -32.018 -2.717 0.00 0.00 0.066 A ATOM 12 C UNL d 1 17.815 -33.130 -3.488 0.00 0.00 0.066 A ATOM 13 C UNL d 1 16.532 -31.024 -3.273 0.00 0.00 0.200 C ATOM 14 C UNL d 1 17.121 -33.367 -4.759 0.00 0.00 0.197 C ATOM 15 C UNL d 1 15.630 -31.357 -4.411 0.00 0.00 0.062 A ATOM 16 C UNL d 1 15.984 -32.502 -5.154 0.00 0.00 0.032 A ATOM 17 C UNL d 1 14.525 -30.596 -4.858 0.00 0.00 0.083 A ATOM 18 C UNL d 1 15.294 -32.872 -6.323 0.00 0.00 0.017 A ATOM 19 C UNL d 1 13.852 -30.997 -6.034 0.00 0.00 0.038 A ATOM 20 C UNL d 1 14.229 -32.113 -6.769 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 19.413 -32.089 1.316 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 20.203 -31.668 2.455 0.00 0.00 0.263 C ATOM 23 O UNL d 1 20.993 -32.733 3.007 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 20.291 -33.689 3.811 0.00 0.00 0.151 C ATOM 25 C UNL d 1 19.534 -33.003 4.965 0.00 0.00 0.179 C ATOM 26 C UNL d 1 21.313 -34.700 4.335 0.00 0.00 0.042 C ATOM 27 C UNL d 1 18.589 -31.949 4.357 0.00 0.00 0.253 C ATOM 28 C UNL d 1 19.413 -30.945 3.552 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 20.434 -32.359 5.885 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 20.298 -31.396 5.809 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 17.822 -31.226 5.379 0.00 0.00 0.085 N ATOM 32 H UNL d 1 18.286 -31.331 6.283 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 17.888 -30.224 5.177 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 22.405 -35.337 0.250 0.00 0.00 0.184 C ATOM 35 O UNL d 1 22.558 -36.001 1.284 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 23.544 -35.252 -0.757 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 24.584 -34.418 -0.249 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 24.418 -33.523 -0.608 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 20.074 -35.037 0.833 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 19.557 -34.292 1.194 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 17.790 -30.790 -0.665 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 17.068 -30.293 -1.092 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 19.211 -35.093 -3.813 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 18.695 -35.093 -4.653 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 13.896 -29.482 -4.384 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 12.594 -29.083 -4.756 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11