@MOLECULE eudistomin c 37 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -4.8859 0.7945 -0.2111 Br 1 UNL1 -0.0298 2 S 4.8744 1.1789 -1.5369 S.3 1 UNL1 -0.0937 3 O 3.6142 -1.0279 -0.6989 O.3 1 UNL1 -0.1720 4 O -4.0454 -1.9597 -0.6877 O.3 1 UNL1 -0.4503 5 N 3.5952 -1.0798 0.7248 N.4 1 UNL1 -0.2630 6 N 0.3770 0.8906 0.8485 N.ar 1 UNL1 -0.3339 7 N 2.6624 2.4918 1.5366 N.3 1 UNL1 -0.6829 8 C 2.7650 0.0574 1.2218 C.3 1 UNL1 -0.0211 9 C 1.3388 -0.1042 0.8180 C.ar 1 UNL1 0.0624 10 C 3.4123 1.4192 0.8202 C.3 1 UNL1 0.0493 11 C 0.7683 -1.3181 0.4384 C.ar 1 UNL1 -0.1474 12 C 1.5531 -2.5621 0.3241 C.3 1 UNL1 -0.2658 13 C 2.9311 -2.3832 1.0062 C.3 1 UNL1 -0.1311 14 C -0.6159 -1.0740 0.1966 C.ar 1 UNL1 0.0064 15 C 3.3394 1.6917 -0.6863 C.3 1 UNL1 -0.3337 16 C -0.8368 0.3255 0.4593 C.ar 1 UNL1 0.0363 17 C 4.8878 -0.6392 -1.1469 C.3 1 UNL1 -0.1205 18 C -1.6893 -1.8796 -0.2001 C.ar 1 UNL1 -0.2797 19 C -2.1026 0.9172 0.3402 C.ar 1 UNL1 -0.1340 20 C -2.9303 -1.2782 -0.3128 C.ar 1 UNL1 0.2475 21 C -3.1386 0.0953 -0.0430 C.ar 1 UNL1 -0.0926 22 H 2.8212 -0.0194 2.3506 H 1 UNL1 0.1680 23 H 4.4830 1.3907 1.1661 H 1 UNL1 0.1464 24 H 1.0169 -3.4195 0.7778 H 1 UNL1 0.1555 25 H 1.6939 -2.8226 -0.7481 H 1 UNL1 0.1615 26 H 2.8337 -2.4732 2.1091 H 1 UNL1 0.1519 27 H 3.6281 -3.1817 0.6710 H 1 UNL1 0.1536 28 H 0.5788 1.8522 1.0525 H 1 UNL1 0.3455 29 H 2.4656 1.1766 -1.1385 H 1 UNL1 0.1882 30 H 3.1987 2.7671 -0.9084 H 1 UNL1 0.1716 31 H 2.9554 3.4109 1.2383 H 1 UNL1 0.2627 32 H 2.7849 2.4268 2.5364 H 1 UNL1 0.2566 33 H 5.6967 -0.8641 -0.4334 H 1 UNL1 0.1649 34 H 5.0244 -1.2097 -2.0833 H 1 UNL1 0.1584 35 H -1.5364 -2.9319 -0.4062 H 1 UNL1 0.1674 36 H -2.2396 1.9762 0.5484 H 1 UNL1 0.1741 37 H -3.8448 -2.9089 -0.8785 H 1 UNL1 0.3230 @BOND 1 34 17 1 2 2 17 1 3 2 15 1 4 17 3 1 5 17 33 1 6 29 15 1 7 30 15 1 8 37 4 1 9 25 12 1 10 3 5 1 11 4 20 1 12 15 10 1 13 35 18 1 14 20 18 ar 15 20 21 ar 16 1 21 1 17 18 14 ar 18 21 19 ar 19 14 11 ar 20 14 16 ar 21 12 11 1 22 12 24 1 23 12 13 1 24 19 16 ar 25 19 36 1 26 11 9 ar 27 16 6 ar 28 27 13 1 29 5 13 1 30 5 8 1 31 9 6 ar 32 9 8 1 33 10 23 1 34 10 8 1 35 10 7 1 36 6 28 1 37 13 26 1 38 8 22 1 39 31 7 1 40 7 32 1