@MOLECULE amphiacrolide l 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1834 0.4934 1.6908 O.3 1 UNL1111111111 -0.3876 2 O -1.3250 -3.0568 -1.9150 O.3 1 UNL1111111111 -0.5493 3 O -5.3743 -1.3209 1.1662 O.2 1 UNL1111111111 -0.4194 4 O 5.4117 -1.1124 -0.4958 O.3 1 UNL1111111111 -0.3930 5 O 6.9735 -0.3294 0.9005 O.2 1 UNL1111111111 -0.4177 6 C -0.8469 0.0062 0.1173 C.3 1 UNL1111111111 -0.1306 7 C -2.3607 0.2991 0.1372 C.3 1 UNL1111111111 0.0112 8 C 0.0160 1.2817 -0.1210 C.3 1 UNL1111111111 0.0673 9 C -0.4740 2.0054 -1.4085 C.3 1 UNL1111111111 -0.1032 10 C -2.8026 1.0421 -1.1344 C.3 1 UNL1111111111 -0.2853 11 C -1.9804 2.3114 -1.3501 C.3 1 UNL1111111111 -0.2787 12 C -0.5872 -1.0674 -0.9612 C.3 1 UNL1111111111 -0.3155 13 C -3.1344 -0.9944 0.2500 C.2 1 UNL1111111111 -0.1697 14 C 1.5057 0.8981 -0.3291 C.3 1 UNL1111111111 -0.2903 15 C -2.8868 1.0412 1.3965 C.3 1 UNL1111111111 -0.0601 16 C -0.0642 2.2077 1.1041 C.3 1 UNL1111111111 -0.4653 17 C -1.3247 -2.3834 -0.6679 C.3 1 UNL1111111111 0.1458 18 C 0.2809 3.3116 -1.6815 C.3 1 UNL1111111111 -0.4565 19 C -2.7213 -2.1929 -0.1497 C.2 1 UNL1111111111 -0.1384 20 C -4.3586 -0.7029 1.0302 C.2 1 UNL1111111111 0.5778 21 C 2.0929 0.0575 0.8157 C.3 1 UNL1111111111 -0.2948 22 C 3.5217 -0.2222 0.5699 C.2 1 UNL1111111111 0.0598 23 C 3.9830 -1.0558 -0.6055 C.3 1 UNL1111111111 -0.0763 24 C 4.5991 0.1548 1.2784 C.2 1 UNL1111111111 -0.3416 25 C 5.8120 -0.3945 0.6322 C.2 1 UNL1111111111 0.5856 26 H -0.5628 -0.4175 1.1114 H 1 UNL1111111111 0.1401 27 H -0.2950 1.3154 -2.2711 H 1 UNL1111111111 0.1368 28 H -3.8807 1.2912 -1.0728 H 1 UNL1111111111 0.1539 29 H -2.7094 0.3724 -2.0130 H 1 UNL1111111111 0.1550 30 H -2.2953 2.7994 -2.2944 H 1 UNL1111111111 0.1436 31 H -2.1917 3.0520 -0.5567 H 1 UNL1111111111 0.1410 32 H 0.4911 -1.2839 -1.0663 H 1 UNL1111111111 0.1527 33 H -0.9026 -0.6989 -1.9604 H 1 UNL1111111111 0.1731 34 H 2.1039 1.8266 -0.4333 H 1 UNL1111111111 0.1535 35 H 1.6235 0.3682 -1.2935 H 1 UNL1111111111 0.1428 36 H -2.2672 0.8755 2.2904 H 1 UNL1111111111 0.1390 37 H -3.0718 2.1150 1.2453 H 1 UNL1111111111 0.1517 38 H -0.9957 2.7821 1.1249 H 1 UNL1111111111 0.1506 39 H 0.0082 1.6525 2.0443 H 1 UNL1111111111 0.1428 40 H 0.7506 2.9425 1.1010 H 1 UNL1111111111 0.1518 41 H -0.7460 -3.0147 0.0533 H 1 UNL1111111111 0.1293 42 H -0.0862 3.7923 -2.5965 H 1 UNL1111111111 0.1474 43 H 0.1588 4.0320 -0.8659 H 1 UNL1111111111 0.1478 44 H 1.3543 3.1453 -1.8194 H 1 UNL1111111111 0.1439 45 H -3.3406 -3.0868 -0.0737 H 1 UNL1111111111 0.1695 46 H 1.5322 -0.8964 0.9286 H 1 UNL1111111111 0.1637 47 H 1.9538 0.5917 1.7809 H 1 UNL1111111111 0.1653 48 H -1.9193 -3.8321 -1.9015 H 1 UNL1111111111 0.3183 49 H 3.6247 -2.0990 -0.5789 H 1 UNL1111111111 0.1615 50 H 3.7642 -0.6013 -1.5870 H 1 UNL1111111111 0.1614 51 H 4.6685 0.7479 2.1697 H 1 UNL1111111111 0.1891 @BOND 1 1 15 1 2 1 20 1 3 2 17 1 4 2 48 1 5 3 20 2 6 4 23 1 7 4 25 1 8 5 25 2 9 6 7 1 10 6 8 1 11 6 12 1 12 6 26 1 13 7 10 1 14 7 13 1 15 7 15 1 16 8 9 1 17 8 14 1 18 8 16 1 19 9 11 1 20 9 18 1 21 9 27 1 22 10 11 1 23 10 28 1 24 10 29 1 25 11 30 1 26 11 31 1 27 12 17 1 28 12 32 1 29 12 33 1 30 13 19 2 31 13 20 1 32 14 21 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 16 38 1 38 16 39 1 39 16 40 1 40 17 19 1 41 17 41 1 42 18 42 1 43 18 43 1 44 18 44 1 45 19 45 1 46 21 22 1 47 21 46 1 48 21 47 1 49 22 23 1 50 22 24 2 51 23 49 1 52 23 50 1 53 24 25 1 54 24 51 1