@MOLECULE acetylsalicylic anhydride 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0011 -0.3428 0.0336 O.3 1 UNL1111111111 -0.5229 2 O 3.9666 1.0187 -0.1316 O.3 1 UNL1111111111 -0.4397 3 O -3.9764 0.9999 0.1108 O.3 1 UNL1111111111 -0.4397 4 O 1.2967 1.4440 -0.3969 O.2 1 UNL1111111111 -0.4595 5 O -1.3109 1.4415 0.4258 O.2 1 UNL1111111111 -0.4569 6 O 3.2043 0.4517 -2.1727 O.2 1 UNL1111111111 -0.4728 7 O -3.2472 0.4387 2.1656 O.2 1 UNL1111111111 -0.4723 8 C 2.2581 -0.5354 0.5718 C.ar 1 UNL1111111111 -0.2438 9 C -2.2439 -0.5444 -0.5567 C.ar 1 UNL1111111111 -0.2442 10 C 3.6034 -0.1753 0.4182 C.ar 1 UNL1111111111 0.3337 11 C -3.5941 -0.1910 -0.4329 C.ar 1 UNL1111111111 0.3339 12 C 1.9572 -1.7194 1.2549 C.ar 1 UNL1111111111 -0.0166 13 C -1.9238 -1.7274 -1.2327 C.ar 1 UNL1111111111 -0.0163 14 C 4.6402 -0.9603 0.9304 C.ar 1 UNL1111111111 -0.2533 15 C -4.6156 -0.9810 -0.9677 C.ar 1 UNL1111111111 -0.2535 16 C 1.2027 0.3325 0.0430 C.2 1 UNL1111111111 0.6753 17 C -1.2037 0.3286 -0.0069 C.2 1 UNL1111111111 0.6752 18 C 2.9797 -2.5086 1.7693 C.ar 1 UNL1111111111 -0.2248 19 C -2.9304 -2.5233 -1.7678 C.ar 1 UNL1111111111 -0.2247 20 C 4.3155 -2.1291 1.6081 C.ar 1 UNL1111111111 -0.0519 21 C -4.2710 -2.1489 -1.6368 C.ar 1 UNL1111111111 -0.0517 22 C 3.5773 1.3144 -1.4327 C.2 1 UNL1111111111 0.6651 23 C -3.6136 1.2983 1.4187 C.2 1 UNL1111111111 0.6646 24 C 3.7722 2.7654 -1.6590 C.3 1 UNL1111111111 -0.5013 25 C -3.8237 2.7477 1.6417 C.3 1 UNL1111111111 -0.5012 26 H 0.9123 -2.0174 1.3885 H 1 UNL1111111111 0.1772 27 H -0.8747 -2.0205 -1.3436 H 1 UNL1111111111 0.1769 28 H 5.6729 -0.6481 0.7939 H 1 UNL1111111111 0.1771 29 H -5.6524 -0.6732 -0.8544 H 1 UNL1111111111 0.1771 30 H 2.7404 -3.4272 2.3014 H 1 UNL1111111111 0.1611 31 H -2.6747 -3.4414 -2.2926 H 1 UNL1111111111 0.1612 32 H 5.1094 -2.7564 2.0156 H 1 UNL1111111111 0.1522 33 H -5.0531 -2.7797 -2.0614 H 1 UNL1111111111 0.1522 34 H 2.8270 3.3002 -1.4286 H 1 UNL1111111111 0.2100 35 H 4.0277 2.9754 -2.7087 H 1 UNL1111111111 0.1846 36 H 4.5494 3.2013 -1.0118 H 1 UNL1111111111 0.1876 37 H -2.8784 3.2898 1.4298 H 1 UNL1111111111 0.2098 38 H -4.1009 2.9550 2.6865 H 1 UNL1111111111 0.1847 39 H -4.5917 3.1780 0.9800 H 1 UNL1111111111 0.1877 @BOND 1 1 16 1 2 1 17 1 3 2 10 1 4 2 22 1 5 3 11 1 6 3 23 1 7 4 16 2 8 5 17 2 9 6 22 2 10 7 23 2 11 8 10 ar 12 8 12 ar 13 8 16 1 14 9 11 ar 15 9 13 ar 16 9 17 1 17 10 14 ar 18 11 15 ar 19 12 18 ar 20 12 26 1 21 13 19 ar 22 13 27 1 23 14 20 ar 24 14 28 1 25 15 21 ar 26 15 29 1 27 18 20 ar 28 18 30 1 29 19 21 ar 30 19 31 1 31 20 32 1 32 21 33 1 33 22 24 1 34 23 25 1 35 24 34 1 36 24 35 1 37 24 36 1 38 25 37 1 39 25 38 1 40 25 39 1