@MOLECULE aignopsanooic a 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8512 1.1625 -1.2592 O.2 1 UNL1111111111 -0.4136 2 O 4.5986 -0.2292 -0.6328 O.3 1 UNL1111111111 -0.5505 3 O 3.2540 0.9949 0.6573 O.2 1 UNL1111111111 -0.5069 4 C -1.5852 -0.5225 0.5679 C.3 1 UNL1111111111 0.0703 5 C -0.5267 0.6265 0.6549 C.3 1 UNL1111111111 -0.0352 6 C -2.3523 -0.3951 -0.7808 C.3 1 UNL1111111111 -0.1053 7 C -1.1641 2.0109 0.4372 C.3 1 UNL1111111111 -0.2679 8 C -0.8721 -1.8982 0.6429 C.3 1 UNL1111111111 -0.2968 9 C -3.0241 0.9832 -0.9114 C.3 1 UNL1111111111 -0.2814 10 C -1.9737 2.0926 -0.8588 C.3 1 UNL1111111111 -0.2729 11 C -2.5491 -0.4448 1.7608 C.3 1 UNL1111111111 -0.4612 12 C 0.5402 0.3760 -0.4047 C.2 1 UNL1111111111 0.4364 13 C 0.2177 0.6537 1.9994 C.3 1 UNL1111111111 -0.4620 14 C 0.2099 -2.0884 -0.4304 C.3 1 UNL1111111111 -0.2900 15 C -3.4117 -1.4853 -0.9778 C.3 1 UNL1111111111 -0.4563 16 C 1.1921 -0.9722 -0.3337 C.2 1 UNL1111111111 0.0003 17 C 2.5078 -1.1409 -0.1773 C.2 1 UNL1111111111 -0.2801 18 C 3.4202 -0.0059 0.0074 C.2 1 UNL1111111111 0.6551 19 H -1.6036 -0.4874 -1.6078 H 1 UNL1111111111 0.1367 20 H -0.3634 2.7799 0.4190 H 1 UNL1111111111 0.1560 21 H -1.8102 2.2615 1.2991 H 1 UNL1111111111 0.1385 22 H -1.6213 -2.7077 0.5628 H 1 UNL1111111111 0.1473 23 H -0.4198 -2.0223 1.6465 H 1 UNL1111111111 0.1489 24 H -3.7765 1.1237 -0.1151 H 1 UNL1111111111 0.1373 25 H -3.5829 1.0380 -1.8645 H 1 UNL1111111111 0.1352 26 H -1.2958 2.0215 -1.7340 H 1 UNL1111111111 0.1589 27 H -2.4571 3.0837 -0.9397 H 1 UNL1111111111 0.1351 28 H -2.0270 -0.5724 2.7149 H 1 UNL1111111111 0.1465 29 H -3.3179 -1.2228 1.7054 H 1 UNL1111111111 0.1451 30 H -3.0655 0.5212 1.7976 H 1 UNL1111111111 0.1541 31 H -0.4277 1.0050 2.8106 H 1 UNL1111111111 0.1528 32 H 1.0839 1.3347 1.9552 H 1 UNL1111111111 0.1757 33 H 0.6047 -0.3302 2.2834 H 1 UNL1111111111 0.1502 34 H -0.2467 -2.1129 -1.4445 H 1 UNL1111111111 0.1668 35 H 0.6931 -3.0791 -0.3084 H 1 UNL1111111111 0.1567 36 H -4.1990 -1.4296 -0.2189 H 1 UNL1111111111 0.1457 37 H -2.9796 -2.4898 -0.9383 H 1 UNL1111111111 0.1409 38 H -3.8972 -1.3825 -1.9559 H 1 UNL1111111111 0.1459 39 H 2.9844 -2.1230 -0.1659 H 1 UNL1111111111 0.1897 40 H 5.2354 0.5235 -0.5496 H 1 UNL1111111111 0.3541 @BOND 1 1 12 2 2 2 18 1 3 2 40 1 4 3 18 2 5 4 5 1 6 4 6 1 7 4 8 1 8 4 11 1 9 5 7 1 10 5 12 1 11 5 13 1 12 6 9 1 13 6 15 1 14 6 19 1 15 7 10 1 16 7 20 1 17 7 21 1 18 8 14 1 19 8 22 1 20 8 23 1 21 9 10 1 22 9 24 1 23 9 25 1 24 10 26 1 25 10 27 1 26 11 28 1 27 11 29 1 28 11 30 1 29 12 16 1 30 13 31 1 31 13 32 1 32 13 33 1 33 14 16 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1 38 15 38 1 39 16 17 2 40 17 18 1 41 17 39 1