@MOLECULE vidalol b 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 BR -6.1817 -0.5093 -0.4845 Br 1 UNL1111111111 -0.0273 2 BR 1.7428 -3.3246 1.0141 Br 1 UNL1111111111 -0.0202 3 BR 1.1380 1.5656 2.6412 Br 1 UNL1111111111 -0.0202 4 BR 4.0122 -1.5084 -0.5555 Br 1 UNL1111111111 0.0057 5 BR 3.1758 1.9633 0.0728 Br 1 UNL1111111111 -0.0132 6 O -0.6393 -0.3804 1.7844 O.3 1 UNL1111111111 -0.4173 7 O -4.6077 1.8163 0.9456 O.3 1 UNL1111111111 -0.4473 8 O -3.9093 -2.6800 -0.7211 O.3 1 UNL1111111111 -0.4553 9 O 0.0801 0.1607 -3.6029 O.3 1 UNL1111111111 -0.4179 10 O -1.0143 3.5995 -2.6041 O.3 1 UNL1111111111 -0.4303 11 O 2.6798 0.1714 -2.8480 O.3 1 UNL1111111111 -0.5018 12 O 1.6220 2.9606 -2.4251 O.3 1 UNL1111111111 -0.4848 13 C -2.2422 -1.5637 0.4236 C.ar 1 UNL1111111111 -0.3026 14 C -2.6067 0.7162 1.2873 C.ar 1 UNL1111111111 -0.2412 15 C -1.2722 -2.6412 0.0602 C.3 1 UNL1111111111 -0.2422 16 C -1.9759 1.9661 1.8149 C.3 1 UNL1111111111 -0.2215 17 C -1.8292 -0.4489 1.1693 C.ar 1 UNL1111111111 0.3766 18 C -3.9071 0.6778 0.7785 C.ar 1 UNL1111111111 0.3798 19 C -3.5576 -1.5612 -0.0569 C.ar 1 UNL1111111111 0.3880 20 C -0.1364 -2.0276 -0.7162 C.ar 1 UNL1111111111 0.0407 21 C -0.9252 2.3589 0.8084 C.ar 1 UNL1111111111 0.0567 22 C -4.4066 -0.4659 0.1377 C.ar 1 UNL1111111111 -0.3998 23 C -0.4870 -1.2459 -1.8258 C.ar 1 UNL1111111111 -0.2122 24 C -1.3910 2.8834 -0.4048 C.ar 1 UNL1111111111 -0.2285 25 C 1.2101 -2.1499 -0.3757 C.ar 1 UNL1111111111 -0.1048 26 C 0.4416 2.1309 0.9707 C.ar 1 UNL1111111111 -0.0663 27 C 0.4887 -0.5589 -2.5354 C.ar 1 UNL1111111111 0.2329 28 C -0.5091 3.0910 -1.4574 C.ar 1 UNL1111111111 0.2337 29 C 2.1932 -1.4322 -1.0591 C.ar 1 UNL1111111111 -0.0873 30 C 1.3267 2.3158 -0.0906 C.ar 1 UNL1111111111 -0.0923 31 C 1.8404 -0.6252 -2.1300 C.ar 1 UNL1111111111 0.1112 32 C 0.8550 2.7606 -1.3170 C.ar 1 UNL1111111111 0.1031 33 H -1.7610 -3.4278 -0.5675 H 1 UNL1111111111 0.1920 34 H -0.9551 -3.1977 0.9650 H 1 UNL1111111111 0.1648 35 H -1.5710 1.7990 2.8351 H 1 UNL1111111111 0.1748 36 H -2.7223 2.7814 1.9445 H 1 UNL1111111111 0.1734 37 H -1.5329 -1.1575 -2.1338 H 1 UNL1111111111 0.2006 38 H -2.4519 3.1014 -0.5420 H 1 UNL1111111111 0.1932 39 H -0.0952 -1.2073 1.6861 H 1 UNL1111111111 0.3380 40 H -5.5210 1.7932 0.5618 H 1 UNL1111111111 0.3386 41 H -4.8308 -2.6679 -1.0840 H 1 UNL1111111111 0.3411 42 H 0.8337 0.6791 -3.9952 H 1 UNL1111111111 0.3397 43 H -0.3030 3.6592 -3.3005 H 1 UNL1111111111 0.3412 44 H 3.6332 -0.0863 -2.7581 H 1 UNL1111111111 0.3569 45 H 2.2903 2.2304 -2.5344 H 1 UNL1111111111 0.3514 @BOND 1 1 22 1 2 2 25 1 3 3 26 1 4 4 29 1 5 5 30 1 6 6 17 1 7 6 39 1 8 7 18 1 9 7 40 1 10 8 19 1 11 8 41 1 12 9 27 1 13 9 42 1 14 10 28 1 15 10 43 1 16 11 31 1 17 11 44 1 18 12 32 1 19 12 45 1 20 13 15 1 21 13 17 ar 22 13 19 ar 23 14 16 1 24 14 17 ar 25 14 18 ar 26 15 20 1 27 15 33 1 28 15 34 1 29 16 21 1 30 16 35 1 31 16 36 1 32 18 22 ar 33 19 22 ar 34 20 23 ar 35 20 25 ar 36 21 24 ar 37 21 26 ar 38 23 27 ar 39 23 37 1 40 24 28 ar 41 24 38 1 42 25 29 ar 43 26 30 ar 44 27 31 ar 45 28 32 ar 46 29 31 ar 47 30 32 ar