REMARK VINA RESULT: -4.2 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_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 19.164 -32.874 -3.939 0.00 0.00 0.017 A ATOM 2 C UNL d 1 21.922 -33.703 -3.392 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 21.257 -32.822 -2.494 0.00 0.00 0.025 A ATOM 4 C UNL d 1 23.289 -34.120 -3.155 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 19.825 -33.799 -4.768 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 19.935 -32.372 -2.855 0.00 0.00 0.089 A ATOM 7 C UNL d 1 21.171 -34.143 -4.506 0.00 0.00 0.020 A ATOM 8 C UNL d 1 21.948 -32.427 -1.308 0.00 0.00 0.051 A ATOM 9 C UNL d 1 23.931 -33.646 -2.000 0.00 0.00 0.107 A ATOM 10 C UNL d 1 23.270 -32.832 -1.084 0.00 0.00 0.113 A ATOM 11 C UNL d 1 19.253 -34.448 -6.009 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 17.742 -32.439 -4.180 0.00 0.00 0.017 A ATOM 13 C UNL d 1 16.637 -33.087 -3.599 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 15.329 -32.614 -3.845 0.00 0.00 0.020 A ATOM 15 C UNL d 1 16.697 -34.255 -2.645 0.00 0.00 0.049 C ATOM 16 C UNL d 1 14.998 -31.562 -4.725 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 16.090 -30.930 -5.385 0.00 0.00 0.025 A ATOM 18 C UNL d 1 13.634 -31.139 -4.957 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 17.424 -31.335 -5.017 0.00 0.00 0.089 A ATOM 20 C UNL d 1 15.786 -29.919 -6.350 0.00 0.00 0.051 A ATOM 21 C UNL d 1 14.474 -29.511 -6.567 0.00 0.00 0.113 A ATOM 22 C UNL d 1 13.419 -30.094 -5.870 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 18.447 -30.531 -5.484 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 19.052 -31.046 -6.044 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 16.837 -29.362 -7.243 0.00 0.00 0.273 C ATOM 26 O UNL d 1 17.229 -28.202 -7.203 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 14.155 -28.565 -7.508 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 14.556 -28.882 -8.341 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 12.192 -29.574 -6.202 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 12.214 -29.185 -7.087 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 12.456 -31.833 -4.259 0.00 0.00 0.014 C ATOM 32 C UNL d 1 11.601 -30.888 -3.404 0.00 0.00 0.015 C ATOM 33 C UNL d 1 11.637 -32.694 -5.225 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 19.426 -31.334 -2.094 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 19.616 -31.480 -1.152 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 21.265 -31.699 -0.214 0.00 0.00 0.273 C ATOM 37 O UNL d 1 21.427 -30.510 0.035 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 24.006 -35.081 -4.114 0.00 0.00 0.014 C ATOM 39 C UNL d 1 25.355 -34.556 -4.619 0.00 0.00 0.015 C ATOM 40 C UNL d 1 24.074 -36.506 -3.557 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 23.944 -32.500 0.063 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 24.148 -31.548 -0.028 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 25.217 -33.955 -1.622 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 25.262 -34.845 -1.251 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11