@MOLECULE FDBD01631 46 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.1849 -0.9634 -0.0734 O.3 1 UNK -0.4260 2 O1 -4.2128 -2.5912 0.3339 O.3 1 UNK -0.4260 3 O2 4.2098 -2.9741 -0.7705 O.2 1 UNK -0.2507 4 O3 -5.2237 -1.1517 -1.2106 O.2 1 UNK -0.2507 5 N -0.9093 2.3569 -0.9955 N.ar 1 UNK -0.2589 6 C 0.0186 1.1039 0.8574 C.3 1 UNK 0.0513 7 C1 1.3839 0.5571 0.6112 C.ar 1 UNK -0.0339 8 C2 -1.1408 0.0919 0.7138 C.ar 1 UNK -0.0339 9 C3 -0.2908 2.4565 0.1765 C.ar 1 UNK 0.0530 10 C4 2.0619 -0.1112 1.6307 C.ar 1 UNK -0.0542 11 C5 -2.2142 0.2203 1.5526 C.ar 1 UNK -0.0542 12 C6 1.9832 0.7150 -0.6384 C.ar 1 UNK -0.0542 13 C7 -1.0314 -0.8791 -0.2444 C.ar 1 UNK -0.0542 14 C8 0.0919 3.5874 0.8288 C.ar 1 UNK -0.0395 15 C9 3.3395 -0.6217 1.4004 C.ar 1 UNK -0.0189 16 C10 -3.2599 -0.6938 1.4233 C.ar 1 UNK -0.0189 17 C11 3.2607 0.2042 -0.8686 C.ar 1 UNK -0.0189 18 C12 -2.0772 -1.7930 -0.3738 C.ar 1 UNK -0.0189 19 C13 3.9388 -0.4640 0.1507 C.ar 1 UNK 0.1316 20 C14 -3.1914 -1.7004 0.4601 C.ar 1 UNK 0.1316 21 C15 -0.2010 4.7871 0.1900 C.ar 1 UNK -0.0586 22 C16 -1.1773 3.5429 -1.5865 C.ar 1 UNK 0.0279 23 C17 -0.8475 4.7731 -1.0410 C.ar 1 UNK -0.0436 24 C18 5.1966 -2.2830 -0.5543 C.2 1 UNK 0.3092 25 C19 -5.2132 -2.1933 -0.5681 C.2 1 UNK 0.3092 26 C20 6.6092 -2.7395 -0.7684 C.3 1 UNK 0.0336 27 C21 -6.2883 -3.2370 -0.6359 C.3 1 UNK 0.0336 28 H 0.0706 1.3230 1.9034 H 1 UNK 0.0461 29 H1 1.6184 -0.2280 2.5552 H 1 UNK 0.0622 30 H2 -2.2491 0.9711 2.2598 H 1 UNK 0.0622 31 H3 1.4816 1.2096 -1.3925 H 1 UNK 0.0622 32 H4 -0.1998 -0.9335 -0.8532 H 1 UNK 0.0622 33 H5 0.5707 3.5566 1.7425 H 1 UNK 0.0636 34 H6 3.8413 -1.1161 2.1546 H 1 UNK 0.0654 35 H7 -4.0843 -0.6253 2.0403 H 1 UNK 0.0654 36 H8 3.7041 0.3207 -1.7932 H 1 UNK 0.0654 37 H9 -2.0265 -2.5376 -1.0865 H 1 UNK 0.0654 38 H10 0.0604 5.6844 0.6277 H 1 UNK 0.0619 39 H11 -1.6570 3.5312 -2.5001 H 1 UNK 0.0829 40 H12 -1.0745 5.6515 -1.5329 H 1 UNK 0.0633 41 H13 7.2826 -1.9505 -0.5059 H 1 UNK 0.0342 42 H14 6.7480 -2.9995 -1.7970 H 1 UNK 0.0342 43 H15 6.8047 -3.5941 -0.1550 H 1 UNK 0.0342 44 H16 -6.0418 -4.0461 0.0194 H 1 UNK 0.0342 45 H17 -6.3685 -3.6019 -1.6386 H 1 UNK 0.0342 46 H18 -7.2216 -2.8076 -0.3369 H 1 UNK 0.0342 @BOND 1 1 19 1 2 1 24 1 3 2 20 1 4 2 25 1 5 3 24 2 6 4 25 2 7 5 9 ar 8 5 22 ar 9 6 7 1 10 6 8 1 11 6 9 1 12 7 10 ar 13 7 12 ar 14 8 11 ar 15 8 13 ar 16 9 14 ar 17 10 15 ar 18 11 16 ar 19 12 17 ar 20 13 18 ar 21 14 21 ar 22 15 19 ar 23 16 20 ar 24 17 19 ar 25 18 20 ar 26 21 23 ar 27 22 23 ar 28 24 26 1 29 25 27 1 30 6 28 1 31 10 29 1 32 11 30 1 33 12 31 1 34 13 32 1 35 14 33 1 36 15 34 1 37 16 35 1 38 17 36 1 39 18 37 1 40 21 38 1 41 22 39 1 42 23 40 1 43 26 41 1 44 26 42 1 45 26 43 1 46 27 44 1 47 27 45 1 48 27 46 1