@MOLECULE FDBD00190 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.7875 0.4253 2.0136 S.3 1 UNK -0.1184 2 O 6.5164 1.9121 -0.6682 O.2 1 UNK -0.2748 3 O1 6.7291 -1.1486 -2.6241 O.3 1 UNK -0.3912 4 O2 3.4423 2.8146 -1.3990 O.co2 1 UNK -0.5433 5 O3 2.8030 3.1755 0.7670 O.co2 1 UNK -0.5433 6 O4 -2.4732 0.9804 1.1144 O.2 1 UNK -0.2693 7 O5 -9.6239 0.0052 -1.3628 O.co2 1 UNK -0.5446 8 O6 -8.6346 -2.0371 -1.2341 O.co2 1 UNK -0.5446 9 N 4.6220 0.5074 -0.6671 N.am 1 UNK -0.2642 10 N1 -0.9975 -1.4519 -0.1270 N.4 1 UNK 0.2366 11 N2 -3.9362 -0.7403 0.4542 N.am 1 UNK -0.2809 12 C 4.8013 -0.9219 -0.3398 C.3 1 UNK 0.0517 13 C1 6.3316 -0.6130 -0.3201 C.3 1 UNK 0.0811 14 C2 3.8527 -1.1508 0.8559 C.3 1 UNK 0.0089 15 C3 5.9377 0.8505 -0.6139 C.2 1 UNK 0.2275 16 C4 3.0989 0.1655 0.9345 C.2 1 UNK 0.0136 17 C5 3.6110 1.0516 0.0695 C.2 1 UNK 0.0687 18 C6 7.2943 -1.2122 -1.3139 C.3 1 UNK 0.0653 19 C7 4.5543 -1.5483 2.1441 C.3 1 UNK -0.0561 20 C8 0.6385 -0.8487 1.4310 C.3 1 UNK 0.0551 21 C9 7.6030 -2.6677 -0.9783 C.3 1 UNK -0.0382 22 C10 -0.6856 -0.8571 2.1886 C.3 1 UNK 0.0160 23 C11 0.2205 -0.6357 -0.0122 C.3 1 UNK -0.0203 24 C12 3.2367 2.4500 -0.1141 C.2 1 UNK 0.0867 25 C13 -1.7188 -1.2679 1.1408 C.3 1 UNK 0.0565 26 C14 -2.7394 -0.1989 0.9062 C.2 1 UNK 0.2654 27 C15 -5.1255 -0.0470 0.1263 C.ar 1 UNK 0.0342 28 C16 -6.2289 -0.7616 -0.3096 C.ar 1 UNK -0.0316 29 C17 -5.1610 1.3321 0.2493 C.ar 1 UNK -0.0404 30 C18 -7.4011 -0.0775 -0.6319 C.ar 1 UNK -0.0009 31 C19 -6.3330 2.0161 -0.0731 C.ar 1 UNK -0.0594 32 C20 -7.4532 1.3113 -0.5137 C.ar 1 UNK -0.0528 33 C21 -8.5689 -0.8115 -1.0926 C.2 1 UNK 0.0717 34 H 6.5296 -0.2256 -2.8457 H 1 UNK 0.2098 35 H1 -0.7565 -2.4341 -0.2601 H 1 UNK 0.2022 36 H2 -1.5646 -1.1725 -0.9274 H 1 UNK 0.2022 37 H3 -3.9597 -1.7190 0.3500 H 1 UNK 0.1550 38 H4 4.5816 -1.8370 -0.8489 H 1 UNK 0.0519 39 H5 6.9089 -0.9542 0.5137 H 1 UNK 0.0438 40 H6 3.2055 -1.9915 0.7168 H 1 UNK 0.0370 41 H7 8.2047 -0.6515 -1.2721 H 1 UNK 0.0598 42 H8 5.2526 -0.7859 2.4198 H 1 UNK 0.0236 43 H9 5.0743 -2.4718 1.9967 H 1 UNK 0.0236 44 H10 3.8300 -1.6671 2.9227 H 1 UNK 0.0236 45 H11 1.1891 -1.7548 1.5746 H 1 UNK 0.0470 46 H12 6.7007 -3.2416 -1.0162 H 1 UNK 0.0255 47 H13 8.0218 -2.7260 0.0046 H 1 UNK 0.0255 48 H14 8.3031 -3.0566 -1.6879 H 1 UNK 0.0255 49 H15 -0.9060 0.1152 2.5771 H 1 UNK 0.0338 50 H16 -0.6710 -1.5191 3.0291 H 1 UNK 0.0338 51 H17 0.0117 0.3961 -0.2039 H 1 UNK 0.0825 52 H18 0.9791 -0.9084 -0.7158 H 1 UNK 0.0825 53 H19 -2.2175 -2.1504 1.4836 H 1 UNK 0.0950 54 H20 -6.1844 -1.7891 -0.3950 H 1 UNK 0.0642 55 H21 -4.3291 1.8481 0.5760 H 1 UNK 0.0636 56 H22 -6.3714 3.0437 0.0143 H 1 UNK 0.0618 57 H23 -8.3204 1.8174 -0.7522 H 1 UNK 0.0624 @BOND 1 1 16 1 2 1 20 1 3 2 15 2 4 3 18 1 5 4 24 ar 6 5 24 ar 7 6 26 2 8 7 33 ar 9 8 33 ar 10 9 12 1 11 9 15 am 12 9 17 1 13 10 23 1 14 10 25 1 15 11 26 am 16 11 27 1 17 12 13 1 18 12 14 1 19 13 15 1 20 13 18 1 21 14 16 1 22 14 19 1 23 16 17 2 24 17 24 1 25 18 21 1 26 20 22 1 27 20 23 1 28 22 25 1 29 25 26 1 30 27 28 ar 31 27 29 ar 32 28 30 ar 33 29 31 ar 34 30 32 ar 35 30 33 1 36 31 32 ar 37 3 34 1 38 10 35 1 39 10 36 1 40 11 37 1 41 12 38 1 42 13 39 1 43 14 40 1 44 18 41 1 45 19 42 1 46 19 43 1 47 19 44 1 48 20 45 1 49 21 46 1 50 21 47 1 51 21 48 1 52 22 49 1 53 22 50 1 54 23 51 1 55 23 52 1 56 25 53 1 57 28 54 1 58 29 55 1 59 31 56 1 60 32 57 1