REMARK VINA RESULT: -6.2 0.000 0.000 REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_6 and C_13 REMARK 2 A between atoms: N_8 and N_10 REMARK 3 A between atoms: C_13 and C_15 ROOT ATOM 1 O UNL d 1 32.554 76.553 107.317 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 33.143 77.137 105.098 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 34.654 76.129 106.431 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 35.512 77.149 104.549 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 32.327 77.460 106.252 0.00 0.00 0.314 C ATOM 6 C UNL d 1 34.480 76.852 105.274 0.00 0.00 0.725 C ATOM 7 C UNL d 1 33.936 76.523 107.611 0.00 0.00 0.313 C ATOM 8 C UNL d 1 35.517 74.969 106.517 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 32.424 76.625 103.921 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 31.888 75.223 104.014 0.00 0.00 0.021 A ATOM 11 S UNL d 1 30.238 74.939 104.434 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 30.508 73.270 104.285 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 29.219 72.164 104.530 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 31.720 72.880 103.980 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 32.514 74.003 103.828 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 35.371 78.033 103.550 0.00 0.00 0.001 N ATOM 17 O UNL d 1 35.523 79.251 103.742 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 35.152 77.574 102.416 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3