REMARK VINA RESULT: -7.2 3.183 5.702 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 29.573 79.561 100.170 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 28.430 78.398 101.885 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 33.302 78.124 101.479 0.00 0.00 0.103 C ATOM 4 C UNL d 1 30.832 78.187 101.685 0.00 0.00 0.042 C ATOM 5 C UNL d 1 32.110 77.651 102.046 0.00 0.00 0.057 C ATOM 6 C UNL d 1 33.189 79.213 100.605 0.00 0.00 0.103 C ATOM 7 C UNL d 1 30.740 79.107 100.643 0.00 0.00 0.075 C ATOM 8 C UNL d 1 31.919 79.626 100.151 0.00 0.00 0.072 C ATOM 9 C UNL d 1 29.614 77.950 102.347 0.00 0.00 0.142 C ATOM 10 C UNL d 1 28.460 79.149 100.789 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 34.539 77.597 101.815 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 35.271 78.338 102.810 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 35.563 77.579 104.120 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 34.514 76.695 104.829 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 34.948 75.634 105.766 0.00 0.00 0.092 N ATOM 16 C UNL d 1 33.820 74.950 106.435 0.00 0.00 0.298 C ATOM 17 C UNL d 1 33.000 75.877 107.346 0.00 0.00 0.198 C ATOM 18 O UNL d 1 33.815 76.468 108.367 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 34.955 77.143 107.816 0.00 0.00 0.198 C ATOM 20 C UNL d 1 35.763 76.221 106.879 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 34.187 79.997 100.090 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 34.271 81.333 100.556 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 29.643 77.376 103.632 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 30.066 77.972 104.322 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 29.538 76.014 103.953 0.00 0.00 0.035 A ATOM 26 C UNL d 1 30.663 75.175 104.006 0.00 0.00 0.056 A ATOM 27 C UNL d 1 30.532 73.817 104.306 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 31.938 72.827 104.378 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 29.272 73.284 104.532 0.00 0.00 0.138 A ATOM 30 F UNL d 1 29.120 71.986 104.833 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 28.140 74.087 104.444 0.00 0.00 0.046 A ATOM 32 C UNL d 1 28.272 75.445 104.147 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8