REMARK VINA RESULT: -4.8 2.528 4.414 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 39.228 7.074 30.695 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 37.804 8.469 31.970 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 36.114 6.056 28.058 0.00 0.00 0.103 C ATOM 4 C UNL d 1 36.942 7.342 30.010 0.00 0.00 0.042 C ATOM 5 C UNL d 1 35.932 7.039 29.042 0.00 0.00 0.057 C ATOM 6 C UNL d 1 37.304 5.319 28.126 0.00 0.00 0.103 C ATOM 7 C UNL d 1 38.199 6.752 29.902 0.00 0.00 0.075 C ATOM 8 C UNL d 1 38.342 5.730 28.987 0.00 0.00 0.072 C ATOM 9 C UNL d 1 36.780 8.133 31.162 0.00 0.00 0.142 C ATOM 10 C UNL d 1 38.994 7.957 31.673 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 35.144 5.771 27.110 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 34.118 4.857 27.540 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 32.675 5.259 27.172 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 32.138 6.697 27.335 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 31.242 7.032 28.465 0.00 0.00 0.092 N ATOM 16 C UNL d 1 30.281 8.110 28.147 0.00 0.00 0.298 C ATOM 17 C UNL d 1 30.954 9.459 27.852 0.00 0.00 0.198 C ATOM 18 O UNL d 1 31.752 9.902 28.957 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 32.709 8.911 29.357 0.00 0.00 0.198 C ATOM 20 C UNL d 1 32.037 7.549 29.626 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 37.638 4.180 27.442 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 39.002 3.795 27.447 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 35.475 8.444 31.590 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 35.288 9.432 31.601 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 34.612 7.629 32.337 0.00 0.00 0.035 A ATOM 26 C UNL d 1 34.729 6.229 32.338 0.00 0.00 0.056 A ATOM 27 C UNL d 1 33.844 5.436 33.072 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 34.033 3.725 33.060 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 32.823 6.035 33.793 0.00 0.00 0.138 A ATOM 30 F UNL d 1 31.968 5.297 34.515 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 32.663 7.417 33.774 0.00 0.00 0.046 A ATOM 32 C UNL d 1 33.548 8.210 33.041 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8