@MOLECULE FDBD00102 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.4943 -1.6191 1.4458 S.O2 1 UNK 0.0788 2 O 2.7815 -2.2857 1.4048 O.2 1 UNK -0.1498 3 O1 0.6048 -1.8065 2.5756 O.2 1 UNK -0.1498 4 O2 3.5836 -0.0402 -0.2240 O.2 1 UNK -0.2512 5 N 2.6748 2.0129 0.3265 N.am 1 UNK -0.2959 6 N1 -1.3985 -0.8808 0.7474 N.pl3 1 UNK -0.3129 7 N2 1.7138 0.0541 1.1724 N.am 1 UNK -0.1692 8 N3 0.5960 -3.2649 -2.0871 N.ar 1 UNK -0.2612 9 C 3.6020 2.8250 -0.4258 C.3 1 UNK 0.0190 10 C1 0.5888 -2.0819 0.0001 C.ar 1 UNK 0.1476 11 C2 -0.7159 -1.6807 -0.1942 C.ar 1 UNK 0.0612 12 C3 -2.4227 0.0766 0.6199 C.ar 1 UNK 0.0316 13 C4 3.7986 4.1748 0.2584 C.3 1 UNK -0.0468 14 C5 3.0824 3.0026 -1.8489 C.3 1 UNK -0.0468 15 C6 2.7437 0.6335 0.3651 C.2 1 UNK 0.3191 16 C7 1.2057 -2.8609 -0.9500 C.ar 1 UNK 0.0560 17 C8 -1.3767 -2.0763 -1.3519 C.ar 1 UNK -0.0205 18 C9 -2.5303 0.8366 -0.5465 C.ar 1 UNK -0.0376 19 C10 -3.5456 1.7849 -0.6723 C.ar 1 UNK -0.0487 20 C11 -3.3344 0.2688 1.6599 C.ar 1 UNK -0.0405 21 C12 -0.6827 -2.8608 -2.2588 C.ar 1 UNK 0.0294 22 C13 -4.4552 1.9750 0.3680 C.ar 1 UNK -0.0587 23 C14 -4.3497 1.2170 1.5340 C.ar 1 UNK -0.0598 24 C15 -3.6584 2.5959 -1.9184 C.3 1 UNK -0.0397 25 H 1.9614 2.4623 0.8348 H 1 UNK 0.1505 26 H1 -1.0998 -1.0196 1.6752 H 1 UNK 0.1522 27 H2 1.0796 0.6697 1.6060 H 1 UNK 0.1781 28 H3 4.5531 2.3365 -0.4663 H 1 UNK 0.0493 29 H4 2.8607 4.6870 0.3129 H 1 UNK 0.0247 30 H5 4.4936 4.7622 -0.3046 H 1 UNK 0.0247 31 H6 4.1793 4.0217 1.2466 H 1 UNK 0.0247 32 H7 2.1305 3.4906 -1.8227 H 1 UNK 0.0247 33 H8 2.9792 2.0441 -2.3131 H 1 UNK 0.0247 34 H9 3.7730 3.5977 -2.4091 H 1 UNK 0.0247 35 H10 2.1824 -3.1516 -0.7872 H 1 UNK 0.0850 36 H11 -2.3534 -1.7944 -1.5300 H 1 UNK 0.0652 37 H12 -1.8577 0.6966 -1.3166 H 1 UNK 0.0639 38 H13 -3.2569 -0.2915 2.5231 H 1 UNK 0.0636 39 H14 -1.1721 -3.1549 -3.1185 H 1 UNK 0.0830 40 H15 -5.2063 2.6766 0.2749 H 1 UNK 0.0620 41 H16 -5.0228 1.3576 2.3036 H 1 UNK 0.0618 42 H17 -2.8818 2.3145 -2.5986 H 1 UNK 0.0278 43 H18 -3.5631 3.6342 -1.6781 H 1 UNK 0.0278 44 H19 -4.6112 2.4210 -2.3728 H 1 UNK 0.0278 @BOND 1 1 2 2 2 1 3 2 3 1 7 1 4 1 10 1 5 4 15 2 6 5 9 1 7 5 15 am 8 6 11 1 9 6 12 1 10 7 15 am 11 8 16 ar 12 8 21 ar 13 9 13 1 14 9 14 1 15 10 11 ar 16 10 16 ar 17 11 17 ar 18 12 18 ar 19 12 20 ar 20 17 21 ar 21 18 19 ar 22 19 22 ar 23 19 24 1 24 20 23 ar 25 22 23 ar 26 5 25 1 27 6 26 1 28 7 27 1 29 9 28 1 30 13 29 1 31 13 30 1 32 13 31 1 33 14 32 1 34 14 33 1 35 14 34 1 36 16 35 1 37 17 36 1 38 18 37 1 39 20 38 1 40 21 39 1 41 22 40 1 42 23 41 1 43 24 42 1 44 24 43 1 45 24 44 1