@MOLECULE FDBD00790 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1680 -2.1606 0.0819 O.3 1 UNK -0.5062 2 N 3.9454 0.8751 0.0431 N.pl3 1 UNK -0.2335 3 N1 2.9022 -1.0410 -0.6435 N.2 1 UNK -0.0837 4 C -3.4522 0.3014 -0.5202 C.3 1 UNK -0.0092 5 C1 -1.9997 0.2191 -0.0222 C.ar 1 UNK -0.0001 6 C2 0.5967 0.1104 0.8627 C.ar 1 UNK -0.0266 7 C3 -1.4524 -1.0108 0.2455 C.ar 1 UNK 0.1237 8 C4 -0.1331 -1.0664 0.6951 C.ar 1 UNK -0.0048 9 C5 0.0075 1.3427 0.5804 C.ar 1 UNK -0.0460 10 C6 -1.3118 1.3983 0.1309 C.ar 1 UNK -0.0514 11 C7 -3.8391 1.7781 -0.7517 C.3 1 UNK -0.0559 12 C8 -4.3985 -0.3122 0.5344 C.3 1 UNK -0.0559 13 C9 -3.7012 -0.4491 -1.8481 C.3 1 UNK -0.0559 14 C10 2.0114 0.0527 1.3456 C.3 1 UNK 0.0759 15 C11 2.9732 -0.0563 0.2088 C.cat 1 UNK 0.2854 16 C12 0.4928 -2.3908 0.9969 C.3 1 UNK -0.0360 17 C13 0.7662 2.6178 0.7540 C.3 1 UNK -0.0394 18 C14 4.7281 0.5411 -1.1096 C.3 1 UNK 0.1194 19 C15 4.0325 -0.7495 -1.5842 C.3 1 UNK 0.1671 20 H -3.0541 -2.1220 -0.2202 H 1 UNK 0.2922 21 H1 4.0903 1.6571 0.6233 H 1 UNK 0.2912 22 H2 -1.7602 2.3032 -0.0815 H 1 UNK 0.0624 23 H3 -3.6802 2.3338 0.1488 H 1 UNK 0.0238 24 H4 -4.8706 1.8371 -1.0300 H 1 UNK 0.0238 25 H5 -3.2346 2.1867 -1.5343 H 1 UNK 0.0238 26 H6 -4.2560 0.1826 1.4724 H 1 UNK 0.0238 27 H7 -4.1822 -1.3543 0.6444 H 1 UNK 0.0238 28 H8 -5.4131 -0.1901 0.2172 H 1 UNK 0.0238 29 H9 -3.0614 -0.0514 -2.6080 H 1 UNK 0.0238 30 H10 -4.7228 -0.3256 -2.1414 H 1 UNK 0.0238 31 H11 -3.4918 -1.4898 -1.7143 H 1 UNK 0.0238 32 H12 2.1271 -0.7997 1.9820 H 1 UNK 0.0436 33 H13 2.2217 0.9567 1.8780 H 1 UNK 0.0436 34 H14 1.4997 -2.2425 1.3270 H 1 UNK 0.0279 35 H15 0.4923 -2.9950 0.1138 H 1 UNK 0.0279 36 H16 -0.0659 -2.8824 1.7657 H 1 UNK 0.0279 37 H17 1.7543 2.4003 1.1021 H 1 UNK 0.0278 38 H18 0.2646 3.2369 1.4682 H 1 UNK 0.0278 39 H19 0.8230 3.1295 -0.1840 H 1 UNK 0.0278 40 H20 5.7506 0.3621 -0.8502 H 1 UNK 0.0765 41 H21 4.7702 1.3133 -1.8491 H 1 UNK 0.0765 42 H22 3.6537 -0.6140 -2.5757 H 1 UNK 0.0829 43 H23 4.7269 -1.5635 -1.5936 H 1 UNK 0.0829 @BOND 1 1 7 1 2 2 15 1 3 2 18 1 4 3 15 2 5 3 19 1 6 4 5 1 7 4 11 1 8 4 12 1 9 4 13 1 10 5 7 ar 11 5 10 ar 12 6 8 ar 13 6 9 ar 14 6 14 1 15 7 8 ar 16 8 16 1 17 9 10 ar 18 9 17 1 19 14 15 1 20 18 19 1 21 1 20 1 22 2 21 1 23 10 22 1 24 11 23 1 25 11 24 1 26 11 25 1 27 12 26 1 28 12 27 1 29 12 28 1 30 13 29 1 31 13 30 1 32 13 31 1 33 14 32 1 34 14 33 1 35 16 34 1 36 16 35 1 37 16 36 1 38 17 37 1 39 17 38 1 40 17 39 1 41 18 40 1 42 18 41 1 43 19 42 1 44 19 43 1