@MOLECULE mdai 24 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8244 1.1770 -0.0878 O.3 1 UNL1111111111 -0.3406 2 O -2.8204 -1.1813 -0.0849 O.3 1 UNL1111111111 -0.3410 3 N 4.1662 -0.0644 -0.6819 N.3 1 UNL1111111111 -0.6634 4 C 3.1180 0.0048 0.3442 C.3 1 UNL1111111111 0.0875 5 C 2.1833 1.2589 0.2225 C.3 1 UNL1111111111 -0.3405 6 C 2.1883 -1.2434 0.2323 C.3 1 UNL1111111111 -0.2927 7 C 0.7996 0.7051 0.1346 C.ar 1 UNL1111111111 -0.0158 8 C 0.8020 -0.6971 0.1391 C.ar 1 UNL1111111111 -0.0157 9 C -0.3796 1.4535 0.0581 C.ar 1 UNL1111111111 -0.2016 10 C -0.3749 -1.4495 0.0656 C.ar 1 UNL1111111111 -0.2020 11 C -1.5357 0.7066 -0.0109 C.ar 1 UNL1111111111 0.1228 12 C -1.5334 -0.7067 -0.0082 C.ar 1 UNL1111111111 0.1250 13 C -3.6562 -0.0036 -0.1337 C.3 1 UNL1111111111 0.1580 14 H 3.6225 0.0114 1.3401 H 1 UNL1111111111 0.1374 15 H 2.4314 1.8665 -0.6643 H 1 UNL1111111111 0.1546 16 H 2.3016 1.9256 1.0936 H 1 UNL1111111111 0.1568 17 H 2.3166 -1.9075 1.1051 H 1 UNL1111111111 0.1586 18 H 2.4489 -1.8612 -0.6488 H 1 UNL1111111111 0.1697 19 H -0.3822 2.5369 0.0556 H 1 UNL1111111111 0.1775 20 H -0.3732 -2.5330 0.0681 H 1 UNL1111111111 0.1782 21 H 4.8200 0.6973 -0.6196 H 1 UNL1111111111 0.2516 22 H 3.7927 -0.1060 -1.6161 H 1 UNL1111111111 0.2548 23 H -4.2887 -0.0035 0.7654 H 1 UNL1111111111 0.1402 24 H -4.1824 -0.0058 -1.0981 H 1 UNL1111111111 0.1405 @BOND 1 1 11 1 2 1 13 1 3 2 12 1 4 2 13 1 5 3 4 1 6 3 21 1 7 3 22 1 8 4 5 1 9 4 6 1 10 4 14 1 11 5 7 1 12 5 15 1 13 5 16 1 14 6 8 1 15 6 17 1 16 6 18 1 17 7 8 ar 18 7 9 ar 19 8 10 ar 20 9 11 ar 21 9 19 1 22 10 12 ar 23 10 20 1 24 11 12 ar 25 13 23 1 26 13 24 1