@MOLECULE FDBD01384 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6742 -1.9404 -1.8659 O.3 1 UNK -0.5068 2 N 3.2109 -0.9323 0.0746 N.4 1 UNK 0.2311 3 C 0.1258 1.4549 0.2583 C.3 1 UNK -0.0086 4 C1 1.4955 0.8831 -0.2476 C.3 1 UNK 0.0032 5 C2 2.0447 -0.2624 0.6407 C.3 1 UNK -0.0292 6 C3 -0.3726 2.6455 -0.6010 C.3 1 UNK -0.0486 7 C4 -0.9374 0.3640 0.3406 C.ar 1 UNK -0.0404 8 C5 2.5630 1.9787 -0.4017 C.3 1 UNK -0.0570 9 C6 -1.6252 3.3188 -0.0474 C.3 1 UNK -0.0647 10 C7 -1.3122 -0.2856 -0.8154 C.ar 1 UNK -0.0167 11 C8 -1.4870 0.0654 1.5685 C.ar 1 UNK -0.0581 12 C9 2.9049 -1.4613 -1.2553 C.3 1 UNK -0.0433 13 C10 3.6655 -2.0076 0.9573 C.3 1 UNK -0.0433 14 C11 -2.2845 -1.2829 -0.7398 C.ar 1 UNK 0.1171 15 C12 -2.4593 -0.9318 1.6442 C.ar 1 UNK -0.0580 16 C13 -2.8580 -1.6060 0.4899 C.ar 1 UNK -0.0202 17 H -2.2890 -1.7235 -2.6921 H 1 UNK 0.2921 18 H1 3.9613 -0.2471 -0.0140 H 1 UNK 0.2028 19 H2 0.2996 1.8291 1.2455 H 1 UNK 0.0353 20 H3 1.2830 0.4727 -1.2126 H 1 UNK 0.0356 21 H4 2.3179 0.1474 1.5906 H 1 UNK 0.0817 22 H5 1.2699 -0.9959 0.7217 H 1 UNK 0.0817 23 H6 -0.5896 2.2848 -1.5847 H 1 UNK 0.0269 24 H7 0.4050 3.3805 -0.5983 H 1 UNK 0.0269 25 H8 2.7849 2.3979 0.5574 H 1 UNK 0.0234 26 H9 2.1952 2.7464 -1.0500 H 1 UNK 0.0234 27 H10 3.4518 1.5544 -0.8198 H 1 UNK 0.0234 28 H11 -2.4313 2.6153 -0.0326 H 1 UNK 0.0230 29 H12 -1.8879 4.1493 -0.6688 H 1 UNK 0.0230 30 H13 -1.4346 3.6639 0.9473 H 1 UNK 0.0230 31 H14 -0.8816 -0.0389 -1.7202 H 1 UNK 0.0657 32 H15 -1.1848 0.5702 2.4163 H 1 UNK 0.0620 33 H16 2.1183 -2.1827 -1.1799 H 1 UNK 0.0777 34 H17 3.7777 -1.9266 -1.6636 H 1 UNK 0.0777 35 H18 2.5950 -0.6613 -1.8947 H 1 UNK 0.0777 36 H19 2.8888 -2.7362 1.0612 H 1 UNK 0.0777 37 H20 3.9056 -1.6028 1.9182 H 1 UNK 0.0777 38 H21 4.5345 -2.4700 0.5378 H 1 UNK 0.0777 39 H22 -2.8837 -1.1708 2.5540 H 1 UNK 0.0619 40 H23 -3.5773 -2.3439 0.5458 H 1 UNK 0.0654 @BOND 1 1 14 1 2 2 5 1 3 2 12 1 4 2 13 1 5 3 4 1 6 3 6 1 7 3 7 1 8 4 5 1 9 4 8 1 10 6 9 1 11 7 10 ar 12 7 11 ar 13 10 14 ar 14 11 15 ar 15 14 16 ar 16 15 16 ar 17 1 17 1 18 2 18 1 19 3 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 6 23 1 24 6 24 1 25 8 25 1 26 8 26 1 27 8 27 1 28 9 28 1 29 9 29 1 30 9 30 1 31 10 31 1 32 11 32 1 33 12 33 1 34 12 34 1 35 12 35 1 36 13 36 1 37 13 37 1 38 13 38 1 39 15 39 1 40 16 40 1