@MOLECULE FDBD00948 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.4655 -2.2422 -1.0501 S.O2 1 UNK 0.0446 2 F 3.6426 -3.1721 1.7821 F 1 UNK -0.2055 3 O 2.2663 4.0649 0.7493 O.3 1 UNK -0.3877 4 O1 4.0382 1.6068 -2.2162 O.3 1 UNK -0.3913 5 O2 -5.4573 -3.2480 -0.7163 O.2 1 UNK -0.1552 6 O3 -3.1211 -2.6407 -1.4225 O.2 1 UNK -0.1552 7 O4 5.5454 -2.2287 -0.6299 O.co2 1 UNK -0.5497 8 O5 4.3762 -1.3940 -2.3888 O.co2 1 UNK -0.5497 9 N -3.3241 1.0410 0.1655 N.ar 1 UNK -0.2172 10 N1 -4.4021 -1.0570 0.2048 N.pl3 1 UNK -0.1777 11 N2 -2.0758 -0.9764 0.5886 N.ar 1 UNK -0.2125 12 C -2.2980 3.2135 0.1097 C.3 1 UNK -0.0035 13 C1 -2.1736 1.7346 0.2883 C.ar 1 UNK 0.0566 14 C2 3.5807 2.1332 0.0948 C.3 1 UNK 0.0032 15 C3 -0.9519 1.1517 0.5571 C.ar 1 UNK 0.0224 16 C4 2.3866 3.0452 -0.2374 C.3 1 UNK 0.0760 17 C5 3.8088 1.0188 -0.9381 C.3 1 UNK 0.0629 18 C6 -0.9633 -0.2208 0.6985 C.ar 1 UNK 0.0835 19 C7 0.2785 1.9522 0.6802 C.2 1 UNK -0.0523 20 C8 1.1161 2.2330 -0.3317 C.2 1 UNK -0.0551 21 C9 -3.2057 3.8572 1.1729 C.3 1 UNK -0.0572 22 C10 -2.7874 3.5939 -1.2992 C.3 1 UNK -0.0572 23 C11 4.9714 0.0918 -0.5766 C.3 1 UNK 0.0130 24 C12 -3.2046 -0.2909 0.3253 C.ar 1 UNK 0.2377 25 C13 0.2326 -0.9864 0.9794 C.ar 1 UNK 0.0013 26 C14 -5.6831 -0.3990 0.5932 C.3 1 UNK 0.0261 27 C15 0.6553 -1.9720 0.0875 C.ar 1 UNK -0.0498 28 C16 0.9618 -0.7391 2.1426 C.ar 1 UNK -0.0498 29 C17 4.9275 -1.2300 -1.3079 C.2 1 UNK 0.0442 30 C18 -5.1317 -1.2899 -2.3993 C.3 1 UNK 0.0739 31 C19 1.8072 -2.7103 0.3586 C.ar 1 UNK -0.0258 32 C20 2.1136 -1.4775 2.4138 C.ar 1 UNK -0.0258 33 C21 2.5364 -2.4630 1.5218 C.ar 1 UNK 0.1234 34 H 3.0919 4.5724 0.7922 H 1 UNK 0.2102 35 H1 3.2985 2.1930 -2.4399 H 1 UNK 0.2098 36 H2 -1.3090 3.6021 0.2357 H 1 UNK 0.0359 37 H3 3.4056 1.6802 1.0482 H 1 UNK 0.0318 38 H4 4.4562 2.7484 0.0916 H 1 UNK 0.0318 39 H5 2.5542 3.5097 -1.1866 H 1 UNK 0.0638 40 H6 2.9277 0.4118 -0.9516 H 1 UNK 0.0598 41 H7 0.5145 2.3250 1.6131 H 1 UNK 0.0622 42 H8 0.8685 1.8587 -1.2610 H 1 UNK 0.0598 43 H9 -4.2021 3.4823 1.0655 H 1 UNK 0.0236 44 H10 -3.2084 4.9194 1.0438 H 1 UNK 0.0236 45 H11 -2.8376 3.6175 2.1486 H 1 UNK 0.0236 46 H12 -3.7769 3.2146 -1.4476 H 1 UNK 0.0236 47 H13 -2.1304 3.1723 -2.0309 H 1 UNK 0.0236 48 H14 -2.7952 4.6593 -1.3985 H 1 UNK 0.0236 49 H15 4.9389 -0.1003 0.4755 H 1 UNK 0.0350 50 H16 5.8748 0.5863 -0.8668 H 1 UNK 0.0350 51 H17 -6.4928 -1.0843 0.4532 H 1 UNK 0.0447 52 H18 -5.8387 0.4664 -0.0165 H 1 UNK 0.0447 53 H19 -5.6367 -0.1071 1.6216 H 1 UNK 0.0447 54 H20 0.1158 -2.1550 -0.7730 H 1 UNK 0.0625 55 H21 0.6491 -0.0098 2.8024 H 1 UNK 0.0625 56 H22 -5.2270 -1.9138 -3.2634 H 1 UNK 0.0482 57 H23 -4.4747 -0.4744 -2.6189 H 1 UNK 0.0482 58 H24 -6.0937 -0.9093 -2.1264 H 1 UNK 0.0482 59 H25 2.1200 -3.4395 -0.3013 H 1 UNK 0.0646 60 H26 2.6530 -1.2947 3.2744 H 1 UNK 0.0646 @BOND 1 1 5 2 2 1 6 2 3 1 10 1 4 1 30 1 5 2 33 1 6 3 16 1 7 4 17 1 8 7 29 ar 9 8 29 ar 10 9 13 ar 11 9 24 ar 12 10 24 1 13 10 26 1 14 11 18 ar 15 11 24 ar 16 12 13 1 17 12 21 1 18 12 22 1 19 13 15 ar 20 14 16 1 21 14 17 1 22 15 18 ar 23 15 19 1 24 16 20 1 25 17 23 1 26 18 25 1 27 19 20 2 28 23 29 1 29 25 27 ar 30 25 28 ar 31 27 31 ar 32 28 32 ar 33 31 33 ar 34 32 33 ar 35 3 34 1 36 4 35 1 37 12 36 1 38 14 37 1 39 14 38 1 40 16 39 1 41 17 40 1 42 19 41 1 43 20 42 1 44 21 43 1 45 21 44 1 46 21 45 1 47 22 46 1 48 22 47 1 49 22 48 1 50 23 49 1 51 23 50 1 52 26 51 1 53 26 52 1 54 26 53 1 55 27 54 1 56 28 55 1 57 30 56 1 58 30 57 1 59 30 58 1 60 31 59 1 61 32 60 1