@MOLECULE FDBD00293 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.5402 0.6609 1.0826 S.3 1 UNK -0.1275 2 O -2.1304 -2.1944 -1.8722 O.2 1 UNK -0.2734 3 O1 -4.7937 1.6026 -0.7951 O.co2 1 UNK -0.5478 4 O2 -4.9959 -0.5119 0.0320 O.co2 1 UNK -0.5478 5 O3 1.8502 -2.0152 1.6262 O.2 1 UNK -0.2692 6 N -2.3674 -0.8786 0.0727 N.am 1 UNK -0.2761 7 N1 0.6507 -1.7828 -0.3445 N.am 1 UNK -0.2968 8 N2 4.1890 -2.1792 0.1652 N.4 1 UNK 0.2307 9 C -1.3242 -0.9926 1.0963 C.3 1 UNK 0.1003 10 C1 -2.1535 1.4644 0.6124 C.3 1 UNK 0.0366 11 C2 -2.8079 0.4391 -0.3384 C.3 1 UNK 0.0807 12 C3 -0.6744 -2.0731 0.2212 C.3 1 UNK 0.1278 13 C4 -1.8408 -1.8263 -0.7564 C.2 1 UNK 0.2401 14 C5 -2.9419 1.7308 1.9019 C.3 1 UNK -0.0486 15 C6 -1.8616 2.7834 -0.1053 C.3 1 UNK -0.0486 16 C7 -4.3033 0.4262 -0.3336 C.2 1 UNK 0.0635 17 C8 1.8202 -1.7785 0.4196 C.2 1 UNK 0.2665 18 C9 3.0615 -1.4271 -0.3931 C.3 1 UNK 0.0789 19 C10 3.3056 0.0677 -0.3871 C.ar 1 UNK 0.0091 20 C11 2.7331 0.8483 -1.3755 C.ar 1 UNK -0.0528 21 C12 4.0955 0.6182 0.6063 C.ar 1 UNK -0.0528 22 C13 2.9578 2.2249 -1.3702 C.ar 1 UNK -0.0613 23 C14 4.3202 1.9949 0.6116 C.ar 1 UNK -0.0613 24 C15 3.7513 2.7983 -0.3766 C.ar 1 UNK -0.0617 25 H 0.7172 -1.5822 -1.3060 H 1 UNK 0.1497 26 H1 3.9782 -3.1768 0.1397 H 1 UNK 0.2005 27 H2 4.3463 -1.8895 1.1305 H 1 UNK 0.2005 28 H3 5.0271 -1.9946 -0.3861 H 1 UNK 0.2005 29 H4 -1.4384 -1.2185 2.1359 H 1 UNK 0.0640 30 H5 -2.5098 0.7174 -1.3276 H 1 UNK 0.0576 31 H6 -0.4232 -3.0311 0.6262 H 1 UNK 0.0622 32 H7 -3.1411 0.8030 2.3963 H 1 UNK 0.0244 33 H8 -3.8666 2.2125 1.6615 H 1 UNK 0.0244 34 H9 -2.3677 2.3626 2.5469 H 1 UNK 0.0244 35 H10 -1.3121 2.5874 -1.0023 H 1 UNK 0.0244 36 H11 -1.2848 3.4177 0.5349 H 1 UNK 0.0244 37 H12 -2.7837 3.2677 -0.3505 H 1 UNK 0.0244 38 H13 2.9315 -1.6993 -1.4197 H 1 UNK 0.1002 39 H14 2.1471 0.4174 -2.1076 H 1 UNK 0.0622 40 H15 4.5133 0.0178 1.3343 H 1 UNK 0.0622 41 H16 2.5370 2.8192 -2.1014 H 1 UNK 0.0618 42 H17 4.9074 2.4190 1.3467 H 1 UNK 0.0618 43 H18 3.9175 3.8168 -0.3726 H 1 UNK 0.0618 @BOND 1 1 9 1 2 1 10 1 3 2 13 2 4 3 16 ar 5 4 16 ar 6 5 17 2 7 6 9 1 8 6 11 1 9 6 13 am 10 7 12 1 11 7 17 am 12 8 18 1 13 9 12 1 14 10 11 1 15 10 14 1 16 10 15 1 17 11 16 1 18 12 13 1 19 17 18 1 20 18 19 1 21 19 20 ar 22 19 21 ar 23 20 22 ar 24 21 23 ar 25 22 24 ar 26 23 24 ar 27 7 25 1 28 8 26 1 29 8 27 1 30 8 28 1 31 9 29 1 32 11 30 1 33 12 31 1 34 14 32 1 35 14 33 1 36 14 34 1 37 15 35 1 38 15 36 1 39 15 37 1 40 18 38 1 41 20 39 1 42 21 40 1 43 22 41 1 44 23 42 1 45 24 43 1