@MOLECULE FDBD01622 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.6501 -0.9429 -0.2528 S.3 1 UNK -0.1309 2 S1 4.8478 -1.1598 1.9333 S.2 1 UNK -0.1011 3 O 0.5819 3.7029 -0.0517 O.2 1 UNK -0.2731 4 O1 -1.7714 2.6984 2.2693 O.co2 1 UNK -0.5433 5 O2 -3.0730 2.9383 0.4033 O.co2 1 UNK -0.5433 6 O3 4.0054 0.6847 -2.3360 O.2 1 UNK -0.2754 7 N -0.3061 1.5310 -0.2618 N.am 1 UNK -0.2532 8 N1 2.7424 1.2932 -0.4867 N.am 1 UNK -0.3015 9 N2 -4.0611 -1.0867 0.4295 N.ar 1 UNK -0.1998 10 C 0.3443 0.5925 -1.1555 C.3 1 UNK 0.1041 11 C1 1.5108 1.6049 -1.2105 C.3 1 UNK 0.1283 12 C2 0.5551 2.5559 -0.4318 C.2 1 UNK 0.2438 13 C3 -1.4324 1.2602 0.4456 C.2 1 UNK 0.0658 14 C4 -1.8767 -0.0092 0.5924 C.2 1 UNK 0.0277 15 C5 -1.1224 -1.2322 0.0765 C.3 1 UNK 0.0246 16 C6 -3.1296 -0.4027 1.3396 C.3 1 UNK 0.1747 17 C7 -2.1686 2.4192 1.1082 C.2 1 UNK 0.0861 18 C8 3.9016 0.8532 -1.1221 C.2 1 UNK 0.2185 19 C9 5.0588 0.6084 -0.1746 C.3 1 UNK 0.0553 20 C10 -3.9753 -2.4135 0.3120 C.ar 1 UNK 0.1715 21 C11 -4.9517 -0.3503 -0.2387 C.ar 1 UNK 0.1715 22 C12 5.0300 -0.8256 0.2758 C.ar 1 UNK -0.0015 23 C13 -4.8415 -3.0854 -0.5387 C.ar 1 UNK 0.0021 24 C14 -5.8428 -0.9687 -1.1042 C.ar 1 UNK 0.0021 25 C15 -5.7836 -2.3510 -1.2524 C.ar 1 UNK -0.0506 26 C16 5.1352 -1.9436 -0.4964 C.ar 1 UNK -0.0511 27 C17 5.0645 -3.1265 0.2947 C.ar 1 UNK -0.0545 28 C18 4.9084 -2.8447 1.6340 C.ar 1 UNK -0.0241 29 H 2.7530 1.3988 0.4921 H 1 UNK 0.1495 30 H1 -0.0581 0.2093 -2.0699 H 1 UNK 0.0644 31 H2 1.9857 1.8372 -2.1407 H 1 UNK 0.0622 32 H3 -1.2043 -2.0088 0.8080 H 1 UNK 0.0425 33 H4 -1.5682 -1.4926 -0.8607 H 1 UNK 0.0425 34 H5 -2.8716 -1.0603 2.1433 H 1 UNK 0.1083 35 H6 -3.5989 0.4768 1.7284 H 1 UNK 0.1083 36 H7 4.9690 1.2528 0.6749 H 1 UNK 0.0412 37 H8 5.9831 0.8112 -0.6740 H 1 UNK 0.0412 38 H9 -3.2681 -2.9371 0.8512 H 1 UNK 0.1376 39 H10 -4.9774 0.6736 -0.1123 H 1 UNK 0.1376 40 H11 -4.7880 -4.1110 -0.6402 H 1 UNK 0.0677 41 H12 -6.5369 -0.4134 -1.6285 H 1 UNK 0.0677 42 H13 -6.4374 -2.8308 -1.8907 H 1 UNK 0.0621 43 H14 5.2511 -1.9346 -1.5218 H 1 UNK 0.0626 44 H15 5.1233 -4.0821 -0.0904 H 1 UNK 0.0623 45 H16 4.8365 -3.5643 2.3703 H 1 UNK 0.0693 @BOND 1 1 10 1 2 1 15 1 3 2 22 ar 4 2 28 ar 5 3 12 2 6 4 17 ar 7 5 17 ar 8 6 18 2 9 7 10 1 10 7 12 am 11 7 13 1 12 8 11 1 13 8 18 am 14 9 16 1 15 9 20 ar 16 9 21 ar 17 10 11 1 18 11 12 1 19 13 14 2 20 13 17 1 21 14 15 1 22 14 16 1 23 18 19 1 24 19 22 1 25 20 23 ar 26 21 24 ar 27 22 26 ar 28 23 25 ar 29 24 25 ar 30 26 27 ar 31 27 28 ar 32 8 29 1 33 10 30 1 34 11 31 1 35 15 32 1 36 15 33 1 37 16 34 1 38 16 35 1 39 19 36 1 40 19 37 1 41 20 38 1 42 21 39 1 43 23 40 1 44 24 41 1 45 25 42 1 46 26 43 1 47 27 44 1 48 28 45 1