REMARK VINA RESULT: -2.1 2.655 4.591 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 2.223 14.793 -16.327 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.386 17.604 -20.628 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -2.911 15.138 -16.423 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -4.459 16.527 -17.896 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -4.203 15.165 -17.241 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -3.374 16.731 -18.955 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.766 15.851 -17.151 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.977 16.514 -18.385 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.439 15.708 -16.684 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.865 16.931 -19.139 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.675 16.091 -17.464 0.00 0.00 0.066 A ATOM 12 C UNL d 1 0.451 16.718 -18.687 0.00 0.00 0.066 A ATOM 13 C UNL d 1 2.070 15.732 -17.095 0.00 0.00 0.200 C ATOM 14 C UNL d 1 1.590 17.129 -19.516 0.00 0.00 0.197 C ATOM 15 C UNL d 1 3.243 16.356 -17.768 0.00 0.00 0.062 A ATOM 16 C UNL d 1 2.971 16.998 -18.994 0.00 0.00 0.032 A ATOM 17 C UNL d 1 4.590 16.286 -17.344 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.997 17.530 -19.798 0.00 0.00 0.017 A ATOM 19 C UNL d 1 5.595 16.833 -18.174 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.314 17.440 -19.390 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -3.063 15.616 -15.061 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.320 14.587 -14.074 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -2.207 13.697 -13.896 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.016 12.711 -14.917 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -3.286 11.859 -15.117 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -0.821 11.845 -14.515 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.454 12.811 -15.439 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -4.620 13.803 -14.289 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -3.607 11.095 -13.942 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -4.185 10.358 -14.214 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -5.721 12.097 -15.641 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -6.028 11.703 -14.750 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -6.442 12.787 -15.873 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 -5.860 16.474 -18.537 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -6.088 16.961 -19.653 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -6.998 15.830 -17.758 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -7.283 16.594 -16.587 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -8.256 16.691 -16.554 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 -4.410 17.603 -16.958 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -4.494 17.270 -16.045 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.247 15.189 -15.429 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.170 15.926 -14.795 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -1.128 17.508 -20.357 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -1.118 16.806 -21.049 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 5.202 15.785 -16.233 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 5.422 16.517 -15.046 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11