@MOLECULE (-)-pukateine 39 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6116 1.3471 -0.3095 O.3 1 UNL1111111111 -0.3801 2 O -1.7651 3.5370 -0.2354 O.3 1 UNL1111111111 -0.3392 3 O -3.0197 -0.8928 1.1001 O.3 1 UNL1111111111 -0.4873 4 N 3.3053 -0.3683 -0.1018 N.3 1 UNL1111111111 -0.4072 5 C 1.8806 -0.7097 0.1523 C.3 1 UNL1111111111 0.0594 6 C 0.9620 0.4911 0.0749 C.ar 1 UNL1111111111 -0.0786 7 C 1.3912 -1.7074 -0.9290 C.3 1 UNL1111111111 -0.3083 8 C 1.4550 1.7899 0.0644 C.ar 1 UNL1111111111 0.0422 9 C -0.4329 0.2024 -0.0118 C.ar 1 UNL1111111111 0.0067 10 C 3.6887 0.8381 0.6722 C.3 1 UNL1111111111 -0.1100 11 C 2.9282 2.0403 0.0905 C.3 1 UNL1111111111 -0.2822 12 C 0.0173 -2.1511 -0.5381 C.ar 1 UNL1111111111 0.0968 13 C -0.8760 -1.1861 -0.0235 C.ar 1 UNL1111111111 -0.1988 14 C -1.2407 1.3108 -0.1380 C.ar 1 UNL1111111111 0.0657 15 C 0.5982 2.9093 -0.0211 C.ar 1 UNL1111111111 -0.2380 16 C -0.7392 2.6316 -0.1223 C.ar 1 UNL1111111111 0.1662 17 C 4.1899 -1.4990 0.2596 C.3 1 UNL1111111111 -0.2833 18 C -2.1018 -1.6572 0.4689 C.ar 1 UNL1111111111 0.3355 19 C -0.3360 -3.4914 -0.6285 C.ar 1 UNL1111111111 -0.2592 20 C -2.9679 2.7463 -0.3136 C.3 1 UNL1111111111 0.1761 21 C -2.4601 -3.0152 0.4080 C.ar 1 UNL1111111111 -0.2689 22 C -1.5799 -3.9210 -0.1564 C.ar 1 UNL1111111111 -0.0585 23 H 1.7534 -1.1792 1.1686 H 1 UNL1111111111 0.1351 24 H 2.0892 -2.5573 -1.0324 H 1 UNL1111111111 0.1557 25 H 1.3878 -1.2109 -1.9234 H 1 UNL1111111111 0.1801 26 H 4.7826 0.9988 0.5628 H 1 UNL1111111111 0.1350 27 H 3.4801 0.7396 1.7589 H 1 UNL1111111111 0.1207 28 H 3.2759 2.2232 -0.9528 H 1 UNL1111111111 0.1719 29 H 3.1767 2.9541 0.6638 H 1 UNL1111111111 0.1492 30 H 0.9830 3.9224 -0.0187 H 1 UNL1111111111 0.1778 31 H 3.9714 -2.3551 -0.4005 H 1 UNL1111111111 0.1482 32 H 4.1029 -1.8328 1.3043 H 1 UNL1111111111 0.1217 33 H 5.2371 -1.2131 0.0679 H 1 UNL1111111111 0.1445 34 H 0.3564 -4.2127 -1.0521 H 1 UNL1111111111 0.1560 35 H -3.5677 2.9506 0.5841 H 1 UNL1111111111 0.1382 36 H -3.4458 2.9540 -1.2817 H 1 UNL1111111111 0.1457 37 H -3.4241 -3.3229 0.8050 H 1 UNL1111111111 0.1743 38 H -1.8501 -4.9741 -0.2248 H 1 UNL1111111111 0.1459 39 H -2.9867 0.0522 0.8100 H 1 UNL1111111111 0.3512 @BOND 1 1 14 1 2 1 20 1 3 2 16 1 4 2 20 1 5 3 18 1 6 3 39 1 7 4 5 1 8 4 10 1 9 4 17 1 10 5 6 1 11 5 7 1 12 5 23 1 13 6 8 ar 14 6 9 ar 15 7 12 1 16 7 24 1 17 7 25 1 18 8 11 1 19 8 15 ar 20 9 13 1 21 9 14 ar 22 10 11 1 23 10 26 1 24 10 27 1 25 11 28 1 26 11 29 1 27 12 13 ar 28 12 19 ar 29 13 18 ar 30 14 16 ar 31 15 16 ar 32 15 30 1 33 17 31 1 34 17 32 1 35 17 33 1 36 18 21 ar 37 19 22 ar 38 19 34 1 39 20 35 1 40 20 36 1 41 21 22 ar 42 21 37 1 43 22 38 1