@MOLECULE FDBD00114 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3477 0.0106 0.0157 O.3 1 UNK -0.3399 2 O1 1.5665 2.0048 0.2378 O.3 1 UNK -0.3459 3 N -2.4963 -0.3416 0.3899 N.pl3 1 UNK -0.1111 4 N1 -4.3257 -1.7651 0.4431 N.pl3 1 UNK -0.2893 5 N2 -4.4932 0.0873 -0.8744 N.pl3 1 UNK -0.2893 6 C 1.6688 0.5806 0.0665 C.3 1 UNK 0.1707 7 C1 2.4344 -0.0022 1.2585 C.3 1 UNK 0.0014 8 C2 2.3879 0.2802 -1.2525 C.3 1 UNK 0.0014 9 C3 2.7203 -1.4925 1.0858 C.3 1 UNK -0.0482 10 C4 2.6759 -1.2099 -1.4254 C.3 1 UNK -0.0482 11 C5 3.4385 -1.7761 -0.2307 C.3 1 UNK -0.0527 12 C6 -0.5191 1.0611 0.4505 C.3 1 UNK 0.1191 13 C7 0.1943 2.3043 -0.0193 C.3 1 UNK 0.0803 14 C8 -1.9026 0.8866 -0.1381 C.3 1 UNK 0.1330 15 C9 -3.6974 -0.6280 -0.0075 C.cat 1 UNK 0.3766 16 H -3.8639 -2.3669 1.0707 H 1 UNK 0.2546 17 H1 -5.2374 -1.9775 0.1381 H 1 UNK 0.2546 18 H2 -4.1607 0.9251 -1.2703 H 1 UNK 0.2546 19 H3 -5.3946 -0.2392 -1.0982 H 1 UNK 0.2546 20 H4 1.8506 0.1365 2.1444 H 1 UNK 0.0317 21 H5 3.3729 0.5071 1.3276 H 1 UNK 0.0317 22 H6 3.3147 0.8147 -1.2693 H 1 UNK 0.0317 23 H7 1.7476 0.5864 -2.0532 H 1 UNK 0.0317 24 H8 1.7940 -2.0279 1.0987 H 1 UNK 0.0267 25 H9 3.3540 -1.8077 1.8883 H 1 UNK 0.0267 26 H10 3.2618 -1.3502 -2.3097 H 1 UNK 0.0267 27 H11 1.7412 -1.7252 -1.5011 H 1 UNK 0.0267 28 H12 3.5350 -2.8349 -0.3516 H 1 UNK 0.0265 29 H13 4.3982 -1.3042 -0.1946 H 1 UNK 0.0265 30 H14 -0.6927 1.0883 1.5060 H 1 UNK 0.0653 31 H15 0.0265 2.4727 -1.0626 H 1 UNK 0.0588 32 H16 -0.1419 3.1938 0.4713 H 1 UNK 0.0588 33 H17 -2.5137 1.7234 0.1289 H 1 UNK 0.0720 34 H18 -1.8355 0.8250 -1.2042 H 1 UNK 0.0720 @BOND 1 1 6 1 2 1 12 1 3 2 6 1 4 2 13 1 5 3 14 1 6 3 15 2 7 4 15 1 8 5 15 1 9 6 7 1 10 6 8 1 11 7 9 1 12 8 10 1 13 9 11 1 14 10 11 1 15 12 13 1 16 12 14 1 17 4 16 1 18 4 17 1 19 5 18 1 20 5 19 1 21 7 20 1 22 7 21 1 23 8 22 1 24 8 23 1 25 9 24 1 26 9 25 1 27 10 26 1 28 10 27 1 29 11 28 1 30 11 29 1 31 12 30 1 32 13 31 1 33 13 32 1 34 14 33 1 35 14 34 1