@MOLECULE cynaropicrin 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8194 -1.8425 0.3750 O.3 1 UNL1111111111 -0.4028 2 O 2.2810 0.3297 -0.2158 O.3 1 UNL1111111111 -0.4837 3 O -5.2902 0.5620 0.6125 O.3 1 UNL1111111111 -0.5476 4 O -0.9926 -3.8305 0.9546 O.2 1 UNL1111111111 -0.4152 5 O 3.1320 1.7652 1.2814 O.2 1 UNL1111111111 -0.4897 6 O 3.9583 -1.3790 -1.4480 O.3 1 UNL1111111111 -0.5317 7 C -2.1181 0.1954 -0.9106 C.3 1 UNL1111111111 -0.1567 8 C -2.1105 1.7401 -0.6643 C.3 1 UNL1111111111 -0.1259 9 C -1.3277 -0.5061 0.1932 C.3 1 UNL1111111111 0.1120 10 C 0.1803 -0.6689 -0.1574 C.3 1 UNL1111111111 -0.2167 11 C -3.4538 2.0360 0.0325 C.3 1 UNL1111111111 -0.3363 12 C -3.5632 -0.2137 -0.8907 C.2 1 UNL1111111111 -0.0725 13 C 0.9531 0.5785 0.2672 C.3 1 UNL1111111111 0.1659 14 C -4.4271 0.9349 -0.4348 C.3 1 UNL1111111111 0.1502 15 C -0.9072 2.2376 0.0854 C.2 1 UNL1111111111 0.0175 16 C 0.4301 1.8267 -0.4617 C.3 1 UNL1111111111 -0.3486 17 C 0.5201 -1.9598 0.5185 C.2 1 UNL1111111111 -0.1470 18 C -0.7690 -2.6924 0.6638 C.2 1 UNL1111111111 0.5779 19 C -4.0342 -1.4142 -1.2140 C.2 1 UNL1111111111 -0.2746 20 C -0.9666 3.0392 1.1516 C.2 1 UNL1111111111 -0.3443 21 C 1.6941 -2.4339 0.9189 C.2 1 UNL1111111111 -0.2043 22 C 3.3132 0.9764 0.3900 C.2 1 UNL1111111111 0.6099 23 C 4.6081 0.5637 -0.1892 C.2 1 UNL1111111111 -0.1650 24 C 4.5967 -0.1241 -1.5238 C.3 1 UNL1111111111 0.0105 25 C 5.7257 0.8164 0.4964 C.2 1 UNL1111111111 -0.1918 26 H -1.6766 -0.0330 -1.9078 H 1 UNL1111111111 0.1556 27 H -2.1141 2.2456 -1.6645 H 1 UNL1111111111 0.1520 28 H -1.4789 -0.0109 1.1799 H 1 UNL1111111111 0.1526 29 H 0.3106 -0.8092 -1.2641 H 1 UNL1111111111 0.1797 30 H -3.3630 1.9966 1.1338 H 1 UNL1111111111 0.1631 31 H -3.8267 3.0426 -0.2051 H 1 UNL1111111111 0.1486 32 H 0.9805 0.7170 1.3711 H 1 UNL1111111111 0.1587 33 H -5.1321 1.2864 -1.2189 H 1 UNL1111111111 0.1471 34 H 0.3887 1.6480 -1.5535 H 1 UNL1111111111 0.1605 35 H 1.1684 2.6501 -0.3378 H 1 UNL1111111111 0.1733 36 H -5.0854 -1.6657 -1.1777 H 1 UNL1111111111 0.1566 37 H -3.4083 -2.2433 -1.5141 H 1 UNL1111111111 0.1612 38 H -1.8770 3.3978 1.6033 H 1 UNL1111111111 0.1549 39 H -0.0890 3.4090 1.6628 H 1 UNL1111111111 0.1572 40 H -4.8343 -0.0334 1.2439 H 1 UNL1111111111 0.3222 41 H 2.6317 -1.9010 0.8137 H 1 UNL1111111111 0.1618 42 H 1.8074 -3.4068 1.3888 H 1 UNL1111111111 0.1709 43 H 5.6146 -0.3883 -1.8769 H 1 UNL1111111111 0.1511 44 H 4.0955 0.4958 -2.2942 H 1 UNL1111111111 0.1300 45 H 6.7146 0.5413 0.1517 H 1 UNL1111111111 0.1579 46 H 5.7331 1.3205 1.4588 H 1 UNL1111111111 0.1683 47 H 3.0271 -1.2617 -1.1513 H 1 UNL1111111111 0.3272 @BOND 1 1 9 1 2 1 18 1 3 2 13 1 4 2 22 1 5 3 14 1 6 3 40 1 7 4 18 2 8 5 22 2 9 6 24 1 10 6 47 1 11 7 8 1 12 7 9 1 13 7 12 1 14 7 26 1 15 8 11 1 16 8 15 1 17 8 27 1 18 9 10 1 19 9 28 1 20 10 13 1 21 10 17 1 22 10 29 1 23 11 14 1 24 11 30 1 25 11 31 1 26 12 14 1 27 12 19 2 28 13 16 1 29 13 32 1 30 14 33 1 31 15 16 1 32 15 20 2 33 16 34 1 34 16 35 1 35 17 18 1 36 17 21 2 37 19 36 1 38 19 37 1 39 20 38 1 40 20 39 1 41 21 41 1 42 21 42 1 43 22 23 1 44 23 24 1 45 23 25 2 46 24 43 1 47 24 44 1 48 25 45 1 49 25 46 1