@MOLECULE chromafenozide 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0891 -1.6085 -0.4308 O.3 1 UNL1111111111 -0.3356 2 O 4.2764 0.1683 0.1085 O.2 1 UNL1111111111 -0.4855 3 O 0.8811 -0.8369 1.7027 O.2 1 UNL1111111111 -0.5130 4 N 2.5303 -1.1400 -0.5439 N.am 1 UNL1111111111 -0.3519 5 N 1.1354 -1.1914 -0.5288 N.am 1 UNL1111111111 -0.4679 6 C 3.2256 -2.4167 -0.1304 C.3 1 UNL1111111111 0.3241 7 C -3.2914 -0.1350 0.2997 C.ar 1 UNL1111111111 -0.1803 8 C -4.2246 1.0224 0.4579 C.3 1 UNL1111111111 -0.2452 9 C -5.5234 0.7873 -0.3221 C.3 1 UNL1111111111 -0.3196 10 C -1.9240 -0.0209 0.5804 C.ar 1 UNL1111111111 0.1466 11 C 4.5022 -2.4932 -0.9875 C.3 1 UNL1111111111 -0.4821 12 C 2.3376 -3.6340 -0.4522 C.3 1 UNL1111111111 -0.4766 13 C 3.5693 -2.4144 1.3633 C.3 1 UNL1111111111 -0.5103 14 C -3.7870 -1.3676 -0.1420 C.ar 1 UNL1111111111 0.2794 15 C -1.0869 -1.1199 0.3531 C.ar 1 UNL1111111111 -0.2421 16 C -6.0291 -0.6162 -0.0191 C.3 1 UNL1111111111 -0.0383 17 C 3.0993 0.1051 -0.1651 C.2 1 UNL1111111111 0.5769 18 C 0.3695 -1.0247 0.6216 C.2 1 UNL1111111111 0.5979 19 C -2.9534 -2.4768 -0.3539 C.ar 1 UNL1111111111 -0.2785 20 C -1.5987 -2.3372 -0.1061 C.ar 1 UNL1111111111 -0.0497 21 C -1.3719 1.2588 1.0987 C.3 1 UNL1111111111 -0.4801 22 C 2.2491 1.3255 -0.2547 C.ar 1 UNL1111111111 -0.0754 23 C 2.1018 2.1009 0.8909 C.ar 1 UNL1111111111 -0.1610 24 C 1.6545 1.6961 -1.4581 C.ar 1 UNL1111111111 -0.1832 25 C 1.3361 3.2694 0.8345 C.ar 1 UNL1111111111 0.0573 26 C 0.8834 2.8586 -1.5104 C.ar 1 UNL1111111111 0.0574 27 C 0.7275 3.6426 -0.3647 C.ar 1 UNL1111111111 -0.2205 28 C 1.1812 4.1032 2.0600 C.3 1 UNL1111111111 -0.4562 29 C 0.2121 3.2430 -2.7847 C.3 1 UNL1111111111 -0.4568 30 H -4.4463 1.1823 1.5351 H 1 UNL1111111111 0.1512 31 H -3.7463 1.9611 0.1066 H 1 UNL1111111111 0.1533 32 H -6.2832 1.5455 -0.0618 H 1 UNL1111111111 0.1499 33 H -5.3384 0.8977 -1.4093 H 1 UNL1111111111 0.1573 34 H 4.2770 -2.3919 -2.0543 H 1 UNL1111111111 0.1528 35 H 5.0163 -3.4460 -0.8339 H 1 UNL1111111111 0.1466 36 H 5.2123 -1.6936 -0.7290 H 1 UNL1111111111 0.1810 37 H 2.8921 -4.5638 -0.2854 H 1 UNL1111111111 0.1506 38 H 1.4498 -3.6694 0.1888 H 1 UNL1111111111 0.1552 39 H 2.0077 -3.6291 -1.4957 H 1 UNL1111111111 0.1500 40 H 4.3024 -1.6337 1.6100 H 1 UNL1111111111 0.1751 41 H 3.9952 -3.3713 1.6753 H 1 UNL1111111111 0.1479 42 H 2.6816 -2.2223 1.9829 H 1 UNL1111111111 0.1794 43 H -6.2262 -0.7714 1.0570 H 1 UNL1111111111 0.1347 44 H -6.9217 -0.8943 -0.6094 H 1 UNL1111111111 0.1448 45 H 0.7464 -1.2727 -1.4599 H 1 UNL1111111111 0.3330 46 H -3.3793 -3.4144 -0.6991 H 1 UNL1111111111 0.1762 47 H -0.9292 -3.1859 -0.2588 H 1 UNL1111111111 0.1583 48 H -1.1380 1.9535 0.2746 H 1 UNL1111111111 0.1752 49 H -2.0608 1.7716 1.7823 H 1 UNL1111111111 0.1595 50 H -0.4334 1.1204 1.6665 H 1 UNL1111111111 0.1931 51 H 2.5783 1.7957 1.8235 H 1 UNL1111111111 0.1762 52 H 1.7913 1.0854 -2.3478 H 1 UNL1111111111 0.1620 53 H 0.1331 4.5512 -0.4098 H 1 UNL1111111111 0.1524 54 H 0.8842 3.4958 2.9287 H 1 UNL1111111111 0.1648 55 H 0.4311 4.8954 1.9471 H 1 UNL1111111111 0.1497 56 H 2.1318 4.5944 2.3220 H 1 UNL1111111111 0.1655 57 H -0.7160 2.6679 -2.9263 H 1 UNL1111111111 0.1619 58 H 0.8492 3.0511 -3.6601 H 1 UNL1111111111 0.1604 59 H -0.0579 4.3065 -2.8166 H 1 UNL1111111111 0.1522 @BOND 1 1 14 1 2 1 16 1 3 2 17 2 4 3 18 2 5 4 5 1 6 4 6 1 7 4 17 am 8 5 18 am 9 5 45 1 10 6 11 1 11 6 12 1 12 6 13 1 13 7 8 1 14 7 10 ar 15 7 14 ar 16 8 9 1 17 8 30 1 18 8 31 1 19 9 16 1 20 9 32 1 21 9 33 1 22 10 15 ar 23 10 21 1 24 11 34 1 25 11 35 1 26 11 36 1 27 12 37 1 28 12 38 1 29 12 39 1 30 13 40 1 31 13 41 1 32 13 42 1 33 14 19 ar 34 15 18 1 35 15 20 ar 36 16 43 1 37 16 44 1 38 17 22 1 39 19 20 ar 40 19 46 1 41 20 47 1 42 21 48 1 43 21 49 1 44 21 50 1 45 22 23 ar 46 22 24 ar 47 23 25 ar 48 23 51 1 49 24 26 ar 50 24 52 1 51 25 27 ar 52 25 28 1 53 26 27 ar 54 26 29 1 55 27 53 1 56 28 54 1 57 28 55 1 58 28 56 1 59 29 57 1 60 29 58 1 61 29 59 1