@MOLECULE cryptopine 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.8012 1.2307 -0.0219 O.3 1 UNL1111111111 -0.3523 2 O 6.0939 -0.7371 0.1059 O.3 1 UNL1111111111 -0.3430 3 O 0.2439 -0.5277 -2.0808 O.2 1 UNL1111111111 -0.4492 4 O -5.4589 0.8556 0.4522 O.3 1 UNL1111111111 -0.3456 5 O -4.7571 -1.9317 0.1792 O.3 1 UNL1111111111 -0.3358 6 N 0.7192 1.5382 0.7268 N.3 1 UNL1111111111 -0.4124 7 C 1.8737 1.4175 -0.1961 C.3 1 UNL1111111111 -0.1216 8 C 2.6024 0.1187 -0.0001 C.ar 1 UNL1111111111 -0.0508 9 C -0.2173 2.6046 0.2947 C.3 1 UNL1111111111 -0.0999 10 C -1.0125 2.1624 -0.9541 C.3 1 UNL1111111111 -0.3004 11 C 1.9980 -1.1584 0.0871 C.ar 1 UNL1111111111 0.0424 12 C -1.9898 1.0774 -0.6235 C.ar 1 UNL1111111111 0.0777 13 C 0.5126 -1.3058 0.1706 C.3 1 UNL1111111111 -0.3707 14 C 3.9805 0.1268 0.0266 C.ar 1 UNL1111111111 0.0947 15 C -1.6297 -0.2724 -0.6614 C.ar 1 UNL1111111111 -0.1579 16 C -0.2300 -0.6769 -0.9847 C.2 1 UNL1111111111 0.5270 17 C 4.7555 -1.0487 0.1063 C.ar 1 UNL1111111111 0.1257 18 C 2.7732 -2.3170 0.1613 C.ar 1 UNL1111111111 -0.1773 19 C 1.1822 1.7771 2.1103 C.3 1 UNL1111111111 -0.2794 20 C -3.2972 1.4297 -0.2757 C.ar 1 UNL1111111111 -0.2375 21 C 4.1785 -2.2927 0.1696 C.ar 1 UNL1111111111 -0.1869 22 C -2.5552 -1.2704 -0.3615 C.ar 1 UNL1111111111 -0.1597 23 C -4.2273 0.4370 0.0213 C.ar 1 UNL1111111111 0.1616 24 C -3.8563 -0.9147 -0.0170 C.ar 1 UNL1111111111 0.1010 25 C 6.1462 0.7034 0.0126 C.3 1 UNL1111111111 0.1633 26 C -6.5243 0.4665 -0.4127 C.3 1 UNL1111111111 -0.1969 27 C -5.1856 -2.0340 1.5364 C.3 1 UNL1111111111 -0.2009 28 H 2.5792 2.2765 -0.1045 H 1 UNL1111111111 0.1369 29 H 1.4997 1.4378 -1.2536 H 1 UNL1111111111 0.1717 30 H 0.2960 3.5667 0.0843 H 1 UNL1111111111 0.1152 31 H -0.9328 2.7956 1.1269 H 1 UNL1111111111 0.1451 32 H -0.3232 1.8300 -1.7617 H 1 UNL1111111111 0.1767 33 H -1.5361 3.0444 -1.3760 H 1 UNL1111111111 0.1503 34 H 0.2075 -2.3714 0.2441 H 1 UNL1111111111 0.1683 35 H 0.1660 -0.8283 1.1243 H 1 UNL1111111111 0.2043 36 H 2.2801 -3.2874 0.2108 H 1 UNL1111111111 0.1593 37 H 0.3179 1.7201 2.7921 H 1 UNL1111111111 0.1455 38 H 1.6914 2.7401 2.2611 H 1 UNL1111111111 0.1211 39 H 1.8815 0.9727 2.3986 H 1 UNL1111111111 0.1524 40 H -3.6032 2.4730 -0.2330 H 1 UNL1111111111 0.1736 41 H 4.7636 -3.2039 0.2211 H 1 UNL1111111111 0.1715 42 H -2.2819 -2.3243 -0.3964 H 1 UNL1111111111 0.1716 43 H 6.6295 1.0812 0.9233 H 1 UNL1111111111 0.1380 44 H 6.6307 0.9610 -0.9397 H 1 UNL1111111111 0.1411 45 H -6.4074 0.9457 -1.3896 H 1 UNL1111111111 0.1320 46 H -7.4075 0.8530 0.1091 H 1 UNL1111111111 0.1456 47 H -6.5765 -0.6226 -0.5177 H 1 UNL1111111111 0.1472 48 H -4.3374 -2.2748 2.1839 H 1 UNL1111111111 0.1299 49 H -5.8984 -2.8658 1.5010 H 1 UNL1111111111 0.1444 50 H -5.6769 -1.1118 1.8654 H 1 UNL1111111111 0.1431 @BOND 1 1 14 1 2 1 25 1 3 2 17 1 4 2 25 1 5 3 16 2 6 4 23 1 7 4 26 1 8 5 24 1 9 5 27 1 10 6 7 1 11 6 9 1 12 6 19 1 13 7 8 1 14 7 28 1 15 7 29 1 16 8 11 ar 17 8 14 ar 18 9 10 1 19 9 30 1 20 9 31 1 21 10 12 1 22 10 32 1 23 10 33 1 24 11 13 1 25 11 18 ar 26 12 15 ar 27 12 20 ar 28 13 16 1 29 13 34 1 30 13 35 1 31 14 17 ar 32 15 16 1 33 15 22 ar 34 17 21 ar 35 18 21 ar 36 18 36 1 37 19 37 1 38 19 38 1 39 19 39 1 40 20 23 ar 41 20 40 1 42 21 41 1 43 22 24 ar 44 22 42 1 45 23 24 ar 46 25 43 1 47 25 44 1 48 26 45 1 49 26 46 1 50 26 47 1 51 27 48 1 52 27 49 1 53 27 50 1