@MOLECULE d,l-hm-pao 47 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2316 2.6748 1.2892 O.2 1 UNL1111111111 -0.3640 2 O 0.9781 2.7204 -1.2878 O.2 1 UNL1111111111 -0.3662 3 N -1.6312 -0.9839 -0.8421 N.3 1 UNL1111111111 -0.5554 4 N 1.7348 -0.8773 0.8425 N.3 1 UNL1111111111 -0.5562 5 N -1.5954 1.8679 0.2173 N.2 1 UNL1111111111 -0.1927 6 N 1.4226 1.9536 -0.2173 N.2 1 UNL1111111111 -0.1894 7 C 0.1044 -2.5834 0.0032 C.3 1 UNL1111111111 0.0912 8 C -1.1440 -1.7259 0.3416 C.3 1 UNL1111111111 -0.1379 9 C 1.2979 -1.6521 -0.3393 C.3 1 UNL1111111111 -0.1376 10 C 0.4138 -3.4687 1.2214 C.3 1 UNL1111111111 -0.4706 11 C -0.1494 -3.4924 -1.2108 C.3 1 UNL1111111111 -0.4711 12 C -2.7875 -0.1028 -0.5335 C.3 1 UNL1111111111 0.0743 13 C 2.8029 0.1072 0.5277 C.3 1 UNL1111111111 0.0752 14 C -3.1917 0.6220 -1.8254 C.3 1 UNL1111111111 -0.4562 15 C 3.1456 0.8654 1.8182 C.3 1 UNL1111111111 -0.4560 16 C -2.3693 0.8903 0.5492 C.2 1 UNL1111111111 0.1337 17 C 2.2893 1.0582 -0.5516 C.2 1 UNL1111111111 0.1303 18 C -2.8831 0.6313 1.9301 C.3 1 UNL1111111111 -0.4754 19 C 2.8254 0.8533 -1.9333 C.3 1 UNL1111111111 -0.4753 20 H -1.9298 -2.3656 0.7924 H 1 UNL1111111111 0.1054 21 H -0.8313 -0.9737 1.1099 H 1 UNL1111111111 0.1770 22 H 2.1229 -2.2440 -0.7853 H 1 UNL1111111111 0.1053 23 H 0.9398 -0.9266 -1.1130 H 1 UNL1111111111 0.1761 24 H 0.4492 -2.8842 2.1482 H 1 UNL1111111111 0.1509 25 H 1.3754 -3.9790 1.1084 H 1 UNL1111111111 0.1442 26 H -0.3520 -4.2403 1.3562 H 1 UNL1111111111 0.1469 27 H -1.0794 -4.0580 -1.0965 H 1 UNL1111111111 0.1444 28 H 0.6609 -4.2183 -1.3390 H 1 UNL1111111111 0.1473 29 H -0.2165 -2.9170 -2.1414 H 1 UNL1111111111 0.1502 30 H -1.8612 -1.6149 -1.6064 H 1 UNL1111111111 0.2567 31 H 2.0304 -1.4908 1.5985 H 1 UNL1111111111 0.2566 32 H -3.6664 -0.6905 -0.1535 H 1 UNL1111111111 0.1131 33 H 3.7298 -0.3973 0.1424 H 1 UNL1111111111 0.1128 34 H -3.9493 1.3876 -1.6289 H 1 UNL1111111111 0.1518 35 H -3.5876 -0.0691 -2.5739 H 1 UNL1111111111 0.1404 36 H -2.3201 1.1308 -2.2675 H 1 UNL1111111111 0.1782 37 H 3.8295 1.6966 1.6185 H 1 UNL1111111111 0.1516 38 H 3.6060 0.2128 2.5644 H 1 UNL1111111111 0.1402 39 H 2.2331 1.2925 2.2644 H 1 UNL1111111111 0.1783 40 H -2.1524 0.9550 2.6926 H 1 UNL1111111111 0.1816 41 H -3.1021 -0.4258 2.1162 H 1 UNL1111111111 0.1529 42 H -3.8029 1.2057 2.1148 H 1 UNL1111111111 0.1658 43 H 2.0748 1.1283 -2.6955 H 1 UNL1111111111 0.1815 44 H 3.1241 -0.1825 -2.1286 H 1 UNL1111111111 0.1528 45 H 3.6999 1.4971 -2.1083 H 1 UNL1111111111 0.1654 46 H -0.2478 2.8178 1.1018 H 1 UNL1111111111 0.3349 47 H -0.0132 2.7745 -1.0923 H 1 UNL1111111111 0.3368 @BOND 1 1 5 1 2 1 46 1 3 2 6 1 4 2 47 1 5 3 8 1 6 3 12 1 7 3 30 1 8 4 9 1 9 4 13 1 10 4 31 1 11 5 16 2 12 6 17 2 13 7 8 1 14 7 9 1 15 7 10 1 16 7 11 1 17 8 20 1 18 8 21 1 19 9 22 1 20 9 23 1 21 10 24 1 22 10 25 1 23 10 26 1 24 11 27 1 25 11 28 1 26 11 29 1 27 12 14 1 28 12 16 1 29 12 32 1 30 13 15 1 31 13 17 1 32 13 33 1 33 14 34 1 34 14 35 1 35 14 36 1 36 15 37 1 37 15 38 1 38 15 39 1 39 16 18 1 40 17 19 1 41 18 40 1 42 18 41 1 43 18 42 1 44 19 43 1 45 19 44 1 46 19 45 1