@MOLECULE FDBD00815 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1604 -1.6209 -0.5169 O.3 1 UNK -0.3733 2 O1 2.2569 -2.9044 -1.1529 O.3 1 UNK -0.3842 3 N 2.5704 0.2789 0.7112 N.4 1 UNK 0.2307 4 N1 -2.8398 2.1809 -0.4326 N.4 1 UNK 0.2294 5 C 2.1449 -2.0538 -0.0082 C.3 1 UNK 0.1179 6 C1 2.5922 -0.6472 -0.4129 C.3 1 UNK -0.0046 7 C2 3.0536 1.5938 0.3124 C.3 1 UNK -0.0283 8 C3 0.7064 -2.1067 0.5016 C.3 1 UNK 0.0789 9 C4 -1.6072 0.3212 -0.4319 C.3 1 UNK 0.0330 10 C5 -1.3195 -1.0189 -0.1051 C.3 1 UNK 0.0669 11 C6 4.4912 1.4991 -0.1908 C.3 1 UNK -0.0219 12 C7 2.9487 2.5532 1.4938 C.3 1 UNK -0.0219 13 C8 -2.8054 0.8802 0.0176 C.3 1 UNK -0.0172 14 C9 -0.9252 1.3310 -1.1670 C.3 1 UNK -0.0023 15 C10 -2.2388 -1.7482 0.6577 C.3 1 UNK -0.0259 16 C11 -3.7338 0.1634 0.7806 C.3 1 UNK -0.0093 17 C12 -1.7079 2.4624 -1.1496 C.3 1 UNK -0.0329 18 C13 -3.4267 -1.1640 1.0929 C.3 1 UNK -0.0456 19 H 3.1674 -2.8794 -1.4865 H 1 UNK 0.2101 20 H1 3.1668 -0.0845 1.4546 H 1 UNK 0.2017 21 H2 1.6086 0.3711 1.0382 H 1 UNK 0.2017 22 H3 -2.8987 2.8126 0.3661 H 1 UNK 0.2016 23 H4 -3.6543 2.3038 -1.0341 H 1 UNK 0.2016 24 H5 2.7740 -2.3729 0.7964 H 1 UNK 0.0670 25 H6 3.5893 -0.6995 -0.7977 H 1 UNK 0.0840 26 H7 1.9094 -0.2841 -1.1524 H 1 UNK 0.0840 27 H8 2.4503 1.9681 -0.4881 H 1 UNK 0.0845 28 H9 0.4474 -3.1165 0.7425 H 1 UNK 0.0588 29 H10 0.6098 -1.5023 1.3793 H 1 UNK 0.0588 30 H11 -0.8254 -0.3900 -0.5987 H 1 UNK 0.0383 31 H12 -0.5892 -0.5400 -0.7233 H 1 UNK 0.0601 32 H13 5.1191 1.1265 0.5914 H 1 UNK 0.0284 33 H14 4.8297 2.4696 -0.4880 H 1 UNK 0.0284 34 H15 4.5328 0.8348 -1.0286 H 1 UNK 0.0284 35 H16 3.5482 2.1902 2.3023 H 1 UNK 0.0284 36 H17 1.9283 2.6209 1.8087 H 1 UNK 0.0284 37 H18 3.2960 3.5214 1.1989 H 1 UNK 0.0284 38 H19 -3.7068 0.7093 0.5683 H 1 UNK 0.0854 39 H20 -0.7741 1.0080 -2.1758 H 1 UNK 0.0322 40 H21 0.0313 1.5305 -0.7308 H 1 UNK 0.0322 41 H22 -1.7187 -2.0722 1.5349 H 1 UNK 0.0290 42 H23 -2.5788 -2.4945 -0.0295 H 1 UNK 0.0290 43 H24 -4.6575 0.1599 0.2406 H 1 UNK 0.0320 44 H25 -3.7565 0.6667 1.7246 H 1 UNK 0.0320 45 H26 -1.1747 3.2661 -0.6863 H 1 UNK 0.0814 46 H27 -1.9620 2.7549 -2.1470 H 1 UNK 0.0814 47 H28 -3.4259 -1.2327 2.1607 H 1 UNK 0.0268 48 H29 -4.1697 -1.7108 0.5508 H 1 UNK 0.0268 @BOND 1 1 8 1 2 1 10 1 3 2 5 1 4 3 6 1 5 3 7 1 6 4 13 1 7 4 17 1 8 5 6 1 9 5 8 1 10 7 11 1 11 7 12 1 12 9 10 1 13 9 13 1 14 9 14 1 15 10 15 1 16 13 16 1 17 14 17 1 18 15 18 1 19 16 18 1 20 2 19 1 21 3 20 1 22 3 21 1 23 4 22 1 24 4 23 1 25 5 24 1 26 6 25 1 27 6 26 1 28 7 27 1 29 8 28 1 30 8 29 1 31 9 30 1 32 10 31 1 33 11 32 1 34 11 33 1 35 11 34 1 36 12 35 1 37 12 36 1 38 12 37 1 39 13 38 1 40 14 39 1 41 14 40 1 42 15 41 1 43 15 42 1 44 16 43 1 45 16 44 1 46 17 45 1 47 17 46 1 48 18 47 1 49 18 48 1