REMARK VINA RESULT: -3.9 2.219 3.465 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 34.446 7.113 33.802 0.00 0.00 0.104 N ATOM 2 H UNL d 1 33.704 6.747 34.419 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 34.722 6.024 32.822 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 33.439 4.769 32.923 0.00 0.00 0.264 P ATOM 5 O UNL d 1 32.196 5.144 33.663 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 33.201 4.358 31.394 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 32.258 4.384 31.143 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 34.172 3.463 33.500 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 33.585 2.685 33.546 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 33.865 8.241 33.004 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 32.451 8.591 33.448 0.00 0.00 0.168 C ATOM 12 O UNL d 1 32.186 9.315 34.394 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 31.505 7.970 32.706 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 30.935 7.445 33.307 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7