@MOLECULE pyrithyldione 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2264 0.3055 0.7962 O.2 1 UNL1111111111 -0.4818 2 O 2.4001 -0.1134 -0.1783 O.2 1 UNL1111111111 -0.4506 3 N -1.5351 -0.3115 -1.2346 N.am 1 UNL1111111111 -0.5631 4 C 0.1685 0.1572 0.5729 C.3 1 UNL1111111111 -0.1493 5 C 0.4111 1.6006 1.0644 C.3 1 UNL1111111111 -0.2447 6 C 0.3369 -0.8333 1.7445 C.3 1 UNL1111111111 -0.2451 7 C -1.2666 0.0696 0.1009 C.2 1 UNL1111111111 0.5863 8 C 1.2319 -0.1701 -0.4802 C.2 1 UNL1111111111 0.4932 9 C 0.2494 2.6302 -0.0512 C.3 1 UNL1111111111 -0.4484 10 C 0.0883 -2.2801 1.3256 C.3 1 UNL1111111111 -0.4485 11 C 0.7796 -0.5422 -1.8150 C.2 1 UNL1111111111 -0.4423 12 C -0.5284 -0.6021 -2.1434 C.2 1 UNL1111111111 0.1591 13 H 1.4346 1.6664 1.4915 H 1 UNL1111111111 0.1645 14 H -0.2875 1.8304 1.8954 H 1 UNL1111111111 0.1590 15 H -0.3541 -0.5538 2.5668 H 1 UNL1111111111 0.1589 16 H 1.3645 -0.7318 2.1547 H 1 UNL1111111111 0.1647 17 H 0.9397 2.4420 -0.8828 H 1 UNL1111111111 0.1522 18 H -0.7693 2.6408 -0.4552 H 1 UNL1111111111 0.1471 19 H 0.4599 3.6419 0.3184 H 1 UNL1111111111 0.1531 20 H -0.9379 -2.4348 0.9732 H 1 UNL1111111111 0.1471 21 H 0.7700 -2.5953 0.5258 H 1 UNL1111111111 0.1522 22 H 0.2452 -2.9635 2.1697 H 1 UNL1111111111 0.1531 23 H -2.5085 -0.3635 -1.5224 H 1 UNL1111111111 0.3264 24 H 1.5642 -0.7704 -2.5331 H 1 UNL1111111111 0.1947 25 H -0.8719 -0.8839 -3.1489 H 1 UNL1111111111 0.1621 @BOND 1 1 7 2 2 2 8 2 3 3 7 am 4 3 12 1 5 3 23 1 6 4 5 1 7 4 6 1 8 4 7 1 9 4 8 1 10 5 9 1 11 5 13 1 12 5 14 1 13 6 10 1 14 6 15 1 15 6 16 1 16 8 11 1 17 9 17 1 18 9 18 1 19 9 19 1 20 10 20 1 21 10 21 1 22 10 22 1 23 11 12 2 24 11 24 1 25 12 25 1