@MOLECULE FDBD01377 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.2704 -2.2101 -0.5464 S.O2 1 UNK 0.0735 2 O -2.2402 -2.8688 -1.4135 O.2 1 UNK -0.1499 3 O1 -0.7741 -2.9255 0.6228 O.2 1 UNK -0.1499 4 O2 2.1346 2.6207 -1.3056 O.3 1 UNK -0.4795 5 O3 3.3896 -0.7487 1.6176 O.3 1 UNK -0.4656 6 N 0.0584 -1.7026 -1.5186 N.pl3 1 UNK -0.1992 7 N1 1.7389 -1.2220 0.0647 N.ar 1 UNK -0.1785 8 N2 -3.6388 2.9439 1.2372 N.pl3 1 UNK -0.3580 9 N3 2.7779 0.9498 0.1681 N.ar 1 UNK -0.1595 10 C -1.9667 -0.6973 -0.0221 C.ar 1 UNK 0.1087 11 C1 -2.9601 -0.0850 -0.7863 C.ar 1 UNK -0.0333 12 C2 -1.5287 -0.1004 1.1599 C.ar 1 UNK -0.0333 13 C3 0.9905 -0.7641 -0.9542 C.ar 1 UNK 0.1482 14 C4 -3.0778 1.7211 0.8141 C.ar 1 UNK 0.0247 15 C5 -3.5157 1.1241 -0.3681 C.ar 1 UNK -0.0392 16 C6 -2.0844 1.1088 1.5780 C.ar 1 UNK -0.0392 17 C7 1.0671 0.5091 -1.4666 C.ar 1 UNK 0.0414 18 C8 1.9907 1.3341 -0.8581 C.ar 1 UNK 0.2222 19 C9 2.6024 -0.3224 0.5732 C.ar 1 UNK 0.3225 20 C10 3.1014 3.4258 -0.6412 C.3 1 UNK 0.0804 21 C11 3.2053 -2.0906 2.0450 C.3 1 UNK 0.0819 22 H 0.1762 -2.0452 -2.4340 H 1 UNK 0.1752 23 H1 -4.3400 3.3764 0.6983 H 1 UNK 0.1423 24 H2 -3.3292 3.3650 2.0715 H 1 UNK 0.1423 25 H3 -3.2840 -0.5266 -1.6610 H 1 UNK 0.0638 26 H4 -0.7936 -0.5533 1.7251 H 1 UNK 0.0638 27 H5 -4.2508 1.5770 -0.9333 H 1 UNK 0.0636 28 H6 -1.7604 1.5504 2.4527 H 1 UNK 0.0636 29 H7 0.4757 0.8256 -2.2509 H 1 UNK 0.0706 30 H8 3.1167 4.4010 -1.0814 H 1 UNK 0.0660 31 H9 4.0673 2.9757 -0.7376 H 1 UNK 0.0660 32 H10 2.8472 3.5062 0.3951 H 1 UNK 0.0660 33 H11 3.8698 -2.3008 2.8569 H 1 UNK 0.0661 34 H12 3.4131 -2.7554 1.2327 H 1 UNK 0.0661 35 H13 2.1941 -2.2266 2.3674 H 1 UNK 0.0661 @BOND 1 1 2 2 2 1 3 2 3 1 6 1 4 1 10 1 5 4 18 1 6 4 20 1 7 5 19 1 8 5 21 1 9 6 13 1 10 7 13 ar 11 7 19 ar 12 8 14 1 13 9 18 ar 14 9 19 ar 15 10 11 ar 16 10 12 ar 17 11 15 ar 18 12 16 ar 19 13 17 ar 20 14 15 ar 21 14 16 ar 22 17 18 ar 23 6 22 1 24 8 23 1 25 8 24 1 26 11 25 1 27 12 26 1 28 15 27 1 29 16 28 1 30 17 29 1 31 20 30 1 32 20 31 1 33 20 32 1 34 21 33 1 35 21 34 1 36 21 35 1