REMARK VINA RESULT: -4.8 2.178 9.138 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 -4.972 -1.576 5.530 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -7.627 -1.205 6.716 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -7.160 -0.292 5.730 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -8.929 -1.042 7.329 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -5.493 -2.500 6.453 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -5.812 -0.464 5.245 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -6.756 -2.270 7.045 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -8.045 0.744 5.303 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -9.726 0.034 6.905 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -9.303 0.899 5.899 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -4.790 -3.739 6.964 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -3.620 -1.743 4.888 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -3.422 -2.476 3.704 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -2.132 -2.575 3.139 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -4.500 -3.158 2.895 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -0.952 -2.060 3.715 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -1.106 -1.371 4.952 0.00 0.00 0.025 A ATOM 18 C UNL d 1 0.349 -2.216 3.101 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.447 -1.163 5.442 0.00 0.00 0.089 A ATOM 20 C UNL d 1 0.079 -0.913 5.609 0.00 0.00 0.051 A ATOM 21 C UNL d 1 1.327 -1.059 5.012 0.00 0.00 0.113 A ATOM 22 C UNL d 1 1.459 -1.680 3.772 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -2.570 -0.279 6.499 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -2.835 0.598 6.175 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 0.037 -0.383 6.997 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.125 0.805 7.283 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 2.480 -0.654 5.635 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 2.505 -1.145 6.480 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 2.758 -1.740 3.328 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 3.369 -1.455 4.021 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 0.518 -2.974 1.776 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -0.649 -3.913 1.448 0.00 0.00 0.015 C ATOM 33 C UNL d 1 0.898 -2.041 0.621 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -5.311 0.577 4.484 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -4.499 0.929 4.885 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -7.736 1.600 4.134 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -7.968 2.801 4.074 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -9.444 -2.032 8.383 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -9.293 -1.534 9.825 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -10.852 -2.541 8.056 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -10.188 1.859 5.483 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -10.067 1.915 4.515 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -10.986 0.323 7.374 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -10.995 1.172 7.836 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11