@MOLECULE FDBD00577 46 49 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.6788 1.4919 0.3527 S.3 1 UNK -0.1275 2 O 1.7832 -2.7264 -0.8387 O.2 1 UNK -0.2734 3 O1 5.9270 -0.3228 0.5727 O.co2 1 UNK -0.5478 4 O2 4.9512 0.9267 -1.0651 O.co2 1 UNK -0.5478 5 O3 -1.2134 -2.4582 -1.4958 O.2 1 UNK -0.2700 6 O4 -4.2840 -1.7120 1.2969 O.2 1 UNK -0.3586 7 N 2.7720 -0.5847 -0.8205 N.am 1 UNK -0.2761 8 N1 -0.4168 -0.4137 -0.7885 N.am 1 UNK -0.2976 9 N2 -4.2350 -0.3278 1.1841 N.ar 1 UNK -0.0773 10 C 1.9302 0.5509 -1.1996 C.3 1 UNK 0.1003 11 C1 2.7935 0.3961 1.3632 C.3 1 UNK 0.0366 12 C2 3.5919 -0.4710 0.3639 C.3 1 UNK 0.0807 13 C3 0.8348 -0.4678 -1.5559 C.3 1 UNK 0.1279 14 C4 1.8275 -1.5381 -1.0621 C.2 1 UNK 0.2401 15 C5 3.6715 1.2696 2.2651 C.3 1 UNK -0.0486 16 C6 1.8931 -0.4839 2.2465 C.3 1 UNK -0.0486 17 C7 4.8677 0.1332 -0.1393 C.2 1 UNK 0.0635 18 C8 -1.3677 -1.4413 -0.8201 C.2 1 UNK 0.2502 19 C9 -2.5547 -1.2551 0.0251 C.ar 1 UNK 0.1060 20 C10 -3.1763 -0.0816 0.4073 C.ar 1 UNK 0.1257 21 C11 -3.2605 -2.2557 0.5899 C.ar 1 UNK 0.1469 22 C12 -2.8196 1.2728 0.0740 C.ar 1 UNK 0.0044 23 C13 -3.1673 -3.7220 0.6045 C.3 1 UNK -0.0029 24 C14 -3.3531 1.8711 -1.0653 C.ar 1 UNK -0.0524 25 C15 -1.9419 1.9800 0.8925 C.ar 1 UNK -0.0524 26 C16 -3.0073 3.1834 -1.3877 C.ar 1 UNK -0.0611 27 C17 -1.5960 3.2924 0.5701 C.ar 1 UNK -0.0611 28 C18 -2.1287 3.8941 -0.5699 C.ar 1 UNK -0.0617 29 H -0.5942 0.3770 -0.2294 H 1 UNK 0.1499 30 H1 2.1557 1.3110 -1.9182 H 1 UNK 0.0640 31 H2 3.8297 -1.3756 0.8836 H 1 UNK 0.0576 32 H3 0.3800 -0.4721 -2.5244 H 1 UNK 0.0622 33 H4 4.3023 1.8863 1.6596 H 1 UNK 0.0244 34 H5 4.2760 0.6442 2.8882 H 1 UNK 0.0244 35 H6 3.0493 1.8884 2.8774 H 1 UNK 0.0244 36 H7 1.2753 -1.0984 1.6255 H 1 UNK 0.0244 37 H8 1.2754 0.1394 2.8588 H 1 UNK 0.0244 38 H9 2.5021 -1.1049 2.8697 H 1 UNK 0.0244 39 H10 -3.9608 -4.1239 1.1992 H 1 UNK 0.0309 40 H11 -2.2261 -4.0154 1.0204 H 1 UNK 0.0309 41 H12 -3.2471 -4.0944 -0.3954 H 1 UNK 0.0309 42 H13 -4.0030 1.3444 -1.6697 H 1 UNK 0.0624 43 H14 -1.5483 1.5339 1.7358 H 1 UNK 0.0624 44 H15 -3.4015 3.6285 -2.2312 H 1 UNK 0.0618 45 H16 -0.9459 3.8181 1.1751 H 1 UNK 0.0618 46 H17 -1.8729 4.8650 -0.8083 H 1 UNK 0.0618 @BOND 1 1 10 1 2 1 11 1 3 2 14 2 4 3 17 ar 5 4 17 ar 6 5 18 2 7 6 9 ar 8 6 21 ar 9 7 10 1 10 7 12 1 11 7 14 am 12 8 13 1 13 8 18 am 14 9 20 ar 15 10 13 1 16 11 12 1 17 11 15 1 18 11 16 1 19 12 17 1 20 13 14 1 21 18 19 1 22 19 20 ar 23 19 21 ar 24 20 22 1 25 21 23 1 26 22 24 ar 27 22 25 ar 28 24 26 ar 29 25 27 ar 30 26 28 ar 31 27 28 ar 32 8 29 1 33 10 30 1 34 12 31 1 35 13 32 1 36 15 33 1 37 15 34 1 38 15 35 1 39 16 36 1 40 16 37 1 41 16 38 1 42 23 39 1 43 23 40 1 44 23 41 1 45 24 42 1 46 25 43 1 47 26 44 1 48 27 45 1 49 28 46 1