@MOLECULE sch-48461 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2443 2.6993 2.5099 O.2 1 UNL1111111111 -0.4594 2 O -0.0653 -5.1129 0.2555 O.3 1 UNL1111111111 -0.3187 3 O -6.6033 1.2444 -1.2965 O.3 1 UNL1111111111 -0.3150 4 N -1.4550 1.2053 0.6865 N.am 1 UNL1111111111 -0.5333 5 C 0.5269 1.2023 1.4328 C.3 1 UNL1111111111 -0.2142 6 C -0.2183 0.4954 0.2251 C.3 1 UNL1111111111 0.0951 7 C 1.6394 2.1475 1.0431 C.3 1 UNL1111111111 -0.2712 8 C -0.8262 1.8949 1.7368 C.2 1 UNL1111111111 0.5842 9 C -0.2360 -0.9932 0.2789 C.ar 1 UNL1111111111 -0.1448 10 C 2.8764 1.3503 0.6130 C.3 1 UNL1111111111 -0.2515 11 C -2.7421 1.1868 0.1546 C.ar 1 UNL1111111111 0.1755 12 C 3.9401 2.2753 0.0030 C.3 1 UNL1111111111 -0.2907 13 C 0.6760 -1.6961 -0.5200 C.ar 1 UNL1111111111 -0.0802 14 C -1.1204 -1.6884 1.1002 C.ar 1 UNL1111111111 -0.0546 15 C -3.7456 1.9817 0.7434 C.ar 1 UNL1111111111 -0.1716 16 C -3.0320 0.3842 -0.9558 C.ar 1 UNL1111111111 -0.1886 17 C 5.0925 1.4517 -0.4846 C.ar 1 UNL1111111111 0.0173 18 C 0.7082 -3.0804 -0.4962 C.ar 1 UNL1111111111 -0.2519 19 C -1.1131 -3.0809 1.1347 C.ar 1 UNL1111111111 -0.2997 20 C -0.1975 -3.7636 0.3347 C.ar 1 UNL1111111111 0.2604 21 C -5.0255 1.9672 0.2190 C.ar 1 UNL1111111111 -0.1938 22 C -4.3201 0.3674 -1.4856 C.ar 1 UNL1111111111 -0.2416 23 C -5.3025 1.1566 -0.8950 C.ar 1 UNL1111111111 0.1948 24 C 5.0111 0.8052 -1.7215 C.ar 1 UNL1111111111 -0.1835 25 C 6.2394 1.3088 0.2976 C.ar 1 UNL1111111111 -0.1838 26 C 6.0708 0.0204 -2.1687 C.ar 1 UNL1111111111 -0.1360 27 C 7.2981 0.5238 -0.1535 C.ar 1 UNL1111111111 -0.1322 28 C 7.2153 -0.1217 -1.3862 C.ar 1 UNL1111111111 -0.1664 29 C -0.9339 -5.9003 1.0590 C.3 1 UNL1111111111 -0.2024 30 C -6.9810 0.4717 -2.4255 C.3 1 UNL1111111111 -0.2032 31 H 0.8293 0.4993 2.2275 H 1 UNL1111111111 0.1767 32 H 0.0988 0.8697 -0.7722 H 1 UNL1111111111 0.1534 33 H 1.3148 2.8271 0.2295 H 1 UNL1111111111 0.1507 34 H 1.8884 2.8125 1.8963 H 1 UNL1111111111 0.1574 35 H 2.5951 0.5692 -0.1201 H 1 UNL1111111111 0.1430 36 H 3.3024 0.8045 1.4771 H 1 UNL1111111111 0.1463 37 H 4.2690 3.0237 0.7509 H 1 UNL1111111111 0.1492 38 H 3.5060 2.8671 -0.8282 H 1 UNL1111111111 0.1513 39 H 1.3693 -1.1546 -1.1651 H 1 UNL1111111111 0.1532 40 H -1.8356 -1.1405 1.7190 H 1 UNL1111111111 0.1669 41 H -3.5077 2.6063 1.6072 H 1 UNL1111111111 0.1852 42 H -2.2558 -0.2349 -1.4034 H 1 UNL1111111111 0.1639 43 H 1.4118 -3.6448 -1.1032 H 1 UNL1111111111 0.1724 44 H -1.8132 -3.6081 1.7733 H 1 UNL1111111111 0.1658 45 H -5.8200 2.5713 0.6534 H 1 UNL1111111111 0.1730 46 H -4.5357 -0.2582 -2.3445 H 1 UNL1111111111 0.1604 47 H 4.1191 0.9156 -2.3336 H 1 UNL1111111111 0.1518 48 H 6.3073 1.8084 1.2615 H 1 UNL1111111111 0.1523 49 H 6.0053 -0.4828 -3.1320 H 1 UNL1111111111 0.1477 50 H 8.1912 0.4139 0.4586 H 1 UNL1111111111 0.1489 51 H 8.0426 -0.7345 -1.7364 H 1 UNL1111111111 0.1500 52 H -0.6154 -6.9221 0.8101 H 1 UNL1111111111 0.1541 53 H -1.9790 -5.7450 0.7738 H 1 UNL1111111111 0.1366 54 H -0.7724 -5.6981 2.1224 H 1 UNL1111111111 0.1362 55 H -8.0438 0.7259 -2.5357 H 1 UNL1111111111 0.1498 56 H -6.4218 0.7771 -3.3152 H 1 UNL1111111111 0.1324 57 H -6.8632 -0.5976 -2.2251 H 1 UNL1111111111 0.1321 @BOND 1 1 8 2 2 2 20 1 3 2 29 1 4 3 23 1 5 3 30 1 6 4 6 1 7 4 8 am 8 4 11 1 9 5 6 1 10 5 7 1 11 5 8 1 12 5 31 1 13 6 9 1 14 6 32 1 15 7 10 1 16 7 33 1 17 7 34 1 18 9 13 ar 19 9 14 ar 20 10 12 1 21 10 35 1 22 10 36 1 23 11 15 ar 24 11 16 ar 25 12 17 1 26 12 37 1 27 12 38 1 28 13 18 ar 29 13 39 1 30 14 19 ar 31 14 40 1 32 15 21 ar 33 15 41 1 34 16 22 ar 35 16 42 1 36 17 24 ar 37 17 25 ar 38 18 20 ar 39 18 43 1 40 19 20 ar 41 19 44 1 42 21 23 ar 43 21 45 1 44 22 23 ar 45 22 46 1 46 24 26 ar 47 24 47 1 48 25 27 ar 49 25 48 1 50 26 28 ar 51 26 49 1 52 27 28 ar 53 27 50 1 54 28 51 1 55 29 52 1 56 29 53 1 57 29 54 1 58 30 55 1 59 30 56 1 60 30 57 1