REMARK VINA RESULT: -6.2 3.442 6.913 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 10.078 8.486 -11.915 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 11.781 9.448 -10.584 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 12.171 4.853 -12.231 0.00 0.00 0.103 C ATOM 4 C UNL d 1 11.988 7.154 -11.327 0.00 0.00 0.042 C ATOM 5 C UNL d 1 12.627 5.875 -11.387 0.00 0.00 0.057 C ATOM 6 C UNL d 1 11.108 5.177 -13.084 0.00 0.00 0.103 C ATOM 7 C UNL d 1 10.795 7.361 -12.017 0.00 0.00 0.075 C ATOM 8 C UNL d 1 10.400 6.383 -12.906 0.00 0.00 0.072 C ATOM 9 C UNL d 1 12.490 8.308 -10.697 0.00 0.00 0.142 C ATOM 10 C UNL d 1 10.586 9.470 -11.163 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 12.779 3.608 -12.280 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 13.993 3.489 -11.513 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 13.980 2.404 -10.417 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 12.694 1.967 -9.684 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 12.593 2.104 -8.214 0.00 0.00 0.092 N ATOM 16 C UNL d 1 11.286 1.671 -7.675 0.00 0.00 0.298 C ATOM 17 C UNL d 1 10.110 2.530 -8.166 0.00 0.00 0.198 C ATOM 18 O UNL d 1 10.285 3.910 -7.820 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 11.542 4.422 -8.283 0.00 0.00 0.198 C ATOM 20 C UNL d 1 12.721 3.544 -7.815 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 10.616 4.457 -14.140 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 10.712 5.041 -15.428 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 13.847 8.337 -10.324 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 14.474 8.207 -11.100 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 14.377 8.126 -9.042 0.00 0.00 0.035 A ATOM 26 C UNL d 1 14.793 6.856 -8.610 0.00 0.00 0.056 A ATOM 27 C UNL d 1 15.296 6.666 -7.321 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 15.811 5.096 -6.837 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 15.366 7.740 -6.447 0.00 0.00 0.138 A ATOM 30 F UNL d 1 15.856 7.586 -5.208 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 14.922 8.999 -6.840 0.00 0.00 0.046 A ATOM 32 C UNL d 1 14.420 9.189 -8.129 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8