@MOLECULE alpha-cehc 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5827 -0.6267 1.4410 O.3 1 UNL1111111111 -0.3654 2 O 4.0436 0.7193 -1.1355 O.3 1 UNL1111111111 -0.4735 3 O -3.5801 2.5979 -0.7514 O.3 1 UNL1111111111 -0.5752 4 O -3.3305 0.9744 -2.2538 O.2 1 UNL1111111111 -0.5130 5 C -1.4993 -1.5230 0.8074 C.3 1 UNL1111111111 0.2978 6 C -0.7457 -2.7706 0.3266 C.3 1 UNL1111111111 -0.3344 7 C 0.3731 -2.3993 -0.6516 C.3 1 UNL1111111111 -0.2491 8 C -2.2086 -0.7924 -0.3469 C.3 1 UNL1111111111 -0.3164 9 C 1.0789 -1.1437 -0.2545 C.ar 1 UNL1111111111 -0.0936 10 C 0.5538 -0.3234 0.7480 C.ar 1 UNL1111111111 0.1544 11 C -2.4600 -1.8678 1.9499 C.3 1 UNL1111111111 -0.4822 12 C 2.2641 -0.7609 -0.8874 C.ar 1 UNL1111111111 -0.0323 13 C 1.1749 0.8656 1.1569 C.ar 1 UNL1111111111 -0.0344 14 C -2.6451 0.6139 0.0615 C.3 1 UNL1111111111 -0.3379 15 C 2.3671 1.2459 0.5337 C.ar 1 UNL1111111111 -0.0952 16 C 2.8859 0.4254 -0.4749 C.ar 1 UNL1111111111 0.1856 17 C 2.8645 -1.5833 -1.9733 C.3 1 UNL1111111111 -0.4253 18 C 0.5655 1.6985 2.2308 C.3 1 UNL1111111111 -0.4275 19 C 3.0600 2.5009 0.9404 C.3 1 UNL1111111111 -0.4180 20 C -3.1965 1.3426 -1.1171 C.2 1 UNL1111111111 0.6498 21 H -1.4434 -3.4902 -0.1354 H 1 UNL1111111111 0.1478 22 H -0.3086 -3.2862 1.2057 H 1 UNL1111111111 0.1568 23 H -0.0337 -2.2863 -1.6808 H 1 UNL1111111111 0.1546 24 H 1.0984 -3.2395 -0.7154 H 1 UNL1111111111 0.1538 25 H -1.5304 -0.7232 -1.2251 H 1 UNL1111111111 0.1732 26 H -3.0745 -1.3864 -0.6952 H 1 UNL1111111111 0.1571 27 H -1.9320 -2.3680 2.7717 H 1 UNL1111111111 0.1603 28 H -2.9140 -0.9651 2.3762 H 1 UNL1111111111 0.1597 29 H -3.2635 -2.5267 1.6086 H 1 UNL1111111111 0.1546 30 H -3.3934 0.5871 0.8817 H 1 UNL1111111111 0.1791 31 H -1.7801 1.1804 0.4885 H 1 UNL1111111111 0.2036 32 H 3.7309 -1.0896 -2.4429 H 1 UNL1111111111 0.1719 33 H 3.2224 -2.5499 -1.5898 H 1 UNL1111111111 0.1534 34 H 2.1412 -1.7834 -2.7766 H 1 UNL1111111111 0.1532 35 H 1.2723 1.8668 3.0566 H 1 UNL1111111111 0.1550 36 H 0.2596 2.6830 1.8472 H 1 UNL1111111111 0.1555 37 H -0.3276 1.2321 2.6740 H 1 UNL1111111111 0.1648 38 H 3.9407 2.7391 0.3287 H 1 UNL1111111111 0.1340 39 H 2.3832 3.3678 0.8705 H 1 UNL1111111111 0.1626 40 H 3.4022 2.4397 1.9861 H 1 UNL1111111111 0.1611 41 H 4.4347 1.5737 -0.8254 H 1 UNL1111111111 0.3196 42 H -3.9449 3.1335 -1.4955 H 1 UNL1111111111 0.3543 @BOND 1 1 5 1 2 1 10 1 3 2 16 1 4 2 41 1 5 3 20 1 6 3 42 1 7 4 20 2 8 5 6 1 9 5 8 1 10 5 11 1 11 6 7 1 12 6 21 1 13 6 22 1 14 7 9 1 15 7 23 1 16 7 24 1 17 8 14 1 18 8 25 1 19 8 26 1 20 9 10 ar 21 9 12 ar 22 10 13 ar 23 11 27 1 24 11 28 1 25 11 29 1 26 12 16 ar 27 12 17 1 28 13 15 ar 29 13 18 1 30 14 20 1 31 14 30 1 32 14 31 1 33 15 16 ar 34 15 19 1 35 17 32 1 36 17 33 1 37 17 34 1 38 18 35 1 39 18 36 1 40 18 37 1 41 19 38 1 42 19 39 1 43 19 40 1