@MOLECULE FDBD00434 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.4368 1.2732 1.0164 S.3 1 UNK -0.1312 2 O -2.3371 -2.5512 -0.8209 O.2 1 UNK -0.2731 3 O1 2.1365 -2.0834 1.5679 O.2 1 UNK -0.2692 4 O2 -4.0687 0.1054 -2.0602 O.co2 1 UNK -0.5433 5 O3 -5.4246 -0.5153 -0.3262 O.co2 1 UNK -0.5433 6 N -2.2922 -0.5056 0.3513 N.am 1 UNK -0.2534 7 N1 0.6150 -1.4062 -0.0452 N.am 1 UNK -0.2968 8 N2 4.0509 -2.4041 -0.3977 N.4 1 UNK 0.2307 9 C -1.2603 -0.3003 1.3512 C.3 1 UNK 0.1041 10 C1 -0.5855 -1.5645 0.7752 C.3 1 UNK 0.1285 11 C2 -1.8896 -1.7287 -0.0564 C.2 1 UNK 0.2438 12 C3 -3.2674 0.3985 0.0765 C.2 1 UNK 0.0596 13 C4 -1.9657 2.2463 1.2309 C.3 1 UNK 0.0184 14 C5 -3.1839 1.6808 0.5042 C.2 1 UNK -0.0396 15 C6 1.8981 -1.6842 0.4293 C.2 1 UNK 0.2665 16 C7 -4.2610 2.7210 0.3101 C.3 1 UNK -0.0409 17 C8 -4.3857 -0.0604 -0.7609 C.2 1 UNK 0.0859 18 C9 2.9849 -1.4201 -0.6072 C.3 1 UNK 0.0789 19 C10 3.4882 0.0052 -0.5106 C.ar 1 UNK 0.0091 20 C11 2.8713 0.9906 -1.2607 C.ar 1 UNK -0.0528 21 C12 4.5536 0.2892 0.3252 C.ar 1 UNK -0.0528 22 C13 3.3350 2.3031 -1.1720 C.ar 1 UNK -0.0613 23 C14 5.0171 1.6017 0.4141 C.ar 1 UNK -0.0613 24 C15 4.4078 2.6088 -0.3344 C.ar 1 UNK -0.0617 25 H 0.5138 -1.0900 -0.9720 H 1 UNK 0.1497 26 H1 3.6644 -3.3451 -0.4721 H 1 UNK 0.2005 27 H2 4.4553 -2.2750 0.5297 H 1 UNK 0.2005 28 H3 4.7748 -2.2770 -1.1050 H 1 UNK 0.2005 29 H4 -1.4141 -0.2246 2.4074 H 1 UNK 0.0644 30 H5 -0.1749 -2.3063 1.4279 H 1 UNK 0.0622 31 H6 -1.7867 3.2352 0.8634 H 1 UNK 0.0423 32 H7 -2.1968 2.2233 2.2754 H 1 UNK 0.0423 33 H8 -5.0924 2.2824 -0.2012 H 1 UNK 0.0275 34 H9 -3.8731 3.5321 -0.2700 H 1 UNK 0.0275 35 H10 -4.5808 3.0856 1.2639 H 1 UNK 0.0275 36 H11 2.5970 -1.5280 -1.5986 H 1 UNK 0.1002 37 H12 2.0779 0.7574 -1.8781 H 1 UNK 0.0622 38 H13 4.9998 -0.4608 0.8760 H 1 UNK 0.0622 39 H14 2.8844 3.0481 -1.7261 H 1 UNK 0.0618 40 H15 5.8109 1.8277 1.0337 H 1 UNK 0.0618 41 H16 4.7506 3.5800 -0.2685 H 1 UNK 0.0618 @BOND 1 1 9 1 2 1 13 1 3 2 11 2 4 3 15 2 5 4 17 ar 6 5 17 ar 7 6 9 1 8 6 11 am 9 6 12 1 10 7 10 1 11 7 15 am 12 8 18 1 13 9 10 1 14 10 11 1 15 12 14 2 16 12 17 1 17 13 14 1 18 14 16 1 19 15 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 10 30 1 33 13 31 1 34 13 32 1 35 16 33 1 36 16 34 1 37 16 35 1 38 18 36 1 39 20 37 1 40 21 38 1 41 22 39 1 42 23 40 1 43 24 41 1