@MOLECULE penipanoid b 34 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7561 -2.8672 -0.0320 O.2 1 UNL1111111111 -0.5043 2 O 6.0166 0.1498 1.2521 O.3 1 UNL1111111111 -0.4733 3 N -1.0105 0.7954 -0.2296 N.pl3 1 UNL1111111111 -0.4957 4 N -0.8723 -1.6618 -0.1619 N.am 1 UNL1111111111 -0.6592 5 N 0.5447 0.9764 -1.8970 N.2 1 UNL1111111111 -0.4128 6 C -0.1505 -0.4036 -0.0179 C.3 1 UNL1111111111 0.2220 7 C 0.9586 -0.2285 -1.1542 C.3 1 UNL1111111111 0.0003 8 C -2.3784 0.7276 0.0947 C.ar 1 UNL1111111111 0.2462 9 C 2.3081 -0.0816 -0.5204 C.ar 1 UNL1111111111 -0.1124 10 C -0.5399 1.4714 -1.4010 C.2 1 UNL1111111111 0.2333 11 C -2.9812 -0.5222 0.3157 C.ar 1 UNL1111111111 -0.2354 12 C -2.2420 -1.7705 0.0497 C.2 1 UNL1111111111 0.6055 13 C -3.1217 1.9065 0.2458 C.ar 1 UNL1111111111 -0.2505 14 C 3.1638 -1.1892 -0.4843 C.ar 1 UNL1111111111 -0.0829 15 C 2.7091 1.1321 0.0405 C.ar 1 UNL1111111111 -0.0484 16 C -4.3125 -0.5884 0.7264 C.ar 1 UNL1111111111 -0.0248 17 C -4.4507 1.8209 0.6468 C.ar 1 UNL1111111111 -0.0576 18 C -5.0455 0.5822 0.8947 C.ar 1 UNL1111111111 -0.2133 19 C 4.4092 -1.0967 0.1207 C.ar 1 UNL1111111111 -0.2429 20 C 3.9553 1.2516 0.6491 C.ar 1 UNL1111111111 -0.3121 21 C 4.7862 0.1304 0.6795 C.ar 1 UNL1111111111 0.3011 22 H 0.2877 -0.3281 1.0152 H 1 UNL1111111111 0.1701 23 H 0.9397 -1.0856 -1.8766 H 1 UNL1111111111 0.1751 24 H -0.3416 -2.4938 -0.3893 H 1 UNL1111111111 0.3338 25 H -1.0687 2.3490 -1.7654 H 1 UNL1111111111 0.1910 26 H -2.6572 2.8740 0.0754 H 1 UNL1111111111 0.1673 27 H 2.8571 -2.1331 -0.9360 H 1 UNL1111111111 0.1543 28 H 2.0449 1.9977 -0.0032 H 1 UNL1111111111 0.1624 29 H -4.7706 -1.5685 0.8989 H 1 UNL1111111111 0.1796 30 H -5.0333 2.7347 0.7738 H 1 UNL1111111111 0.1529 31 H -6.0846 0.5323 1.2138 H 1 UNL1111111111 0.1625 32 H 5.0893 -1.9435 0.1646 H 1 UNL1111111111 0.1772 33 H 4.2694 2.1941 1.0828 H 1 UNL1111111111 0.1621 34 H 6.2452 1.0354 1.6243 H 1 UNL1111111111 0.3290 @BOND 1 1 12 2 2 2 21 1 3 2 34 1 4 3 6 1 5 3 8 1 6 3 10 1 7 4 6 1 8 4 12 am 9 4 24 1 10 5 7 1 11 5 10 2 12 6 7 1 13 6 22 1 14 7 9 1 15 7 23 1 16 8 11 ar 17 8 13 ar 18 9 14 ar 19 9 15 ar 20 10 25 1 21 11 12 1 22 11 16 ar 23 13 17 ar 24 13 26 1 25 14 19 ar 26 14 27 1 27 15 20 ar 28 15 28 1 29 16 18 ar 30 16 29 1 31 17 18 ar 32 17 30 1 33 18 31 1 34 19 21 ar 35 19 32 1 36 20 21 ar 37 20 33 1