@MOLECULE pseudopteroxazole 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8082 0.6695 -0.1097 O.2 1 UNL1111111111 -0.2547 2 N -2.8946 2.7303 0.1508 N.ar 1 UNL1111111111 -0.3711 3 C 0.5446 -1.7713 0.1854 C.3 1 UNL1111111111 -0.1141 4 C 1.6650 -1.7412 1.2570 C.3 1 UNL1111111111 -0.0743 5 C -0.3493 -0.5609 0.2073 C.ar 1 UNL1111111111 0.0176 6 C -0.2539 -3.0770 0.3532 C.3 1 UNL1111111111 -0.2775 7 C 2.1209 -0.3202 1.6280 C.3 1 UNL1111111111 -0.2859 8 C 1.7487 0.7472 0.5804 C.3 1 UNL1111111111 -0.0868 9 C 0.2575 0.7053 0.3697 C.ar 1 UNL1111111111 -0.0883 10 C -2.4264 -1.9975 -0.2468 C.3 1 UNL1111111111 -0.0648 11 C -1.7271 -0.6915 -0.0076 C.ar 1 UNL1111111111 -0.0794 12 C -1.4225 -3.0988 -0.6282 C.3 1 UNL1111111111 -0.2761 13 C 2.8654 -2.5590 0.7578 C.3 1 UNL1111111111 -0.4615 14 C -0.4730 1.8968 0.3506 C.ar 1 UNL1111111111 0.0612 15 C -2.4426 0.4956 0.0235 C.ar 1 UNL1111111111 0.0896 16 C -1.8532 1.7740 0.1906 C.ar 1 UNL1111111111 -0.0019 17 C -3.4800 -1.8760 -1.3563 C.3 1 UNL1111111111 -0.4508 18 C 2.4778 0.5475 -0.7135 C.2 1 UNL1111111111 -0.2181 19 C 0.1413 3.2439 0.4802 C.3 1 UNL1111111111 -0.4403 20 C 3.7434 0.9191 -0.9432 C.2 1 UNL1111111111 0.0397 21 C -3.9992 2.0537 -0.0203 C.ar 1 UNL1111111111 0.1793 22 C 4.3862 0.6723 -2.2713 C.3 1 UNL1111111111 -0.4575 23 C 4.6231 1.6024 0.0500 C.3 1 UNL1111111111 -0.4565 24 H 1.0307 -1.7833 -0.8289 H 1 UNL1111111111 0.1573 25 H 1.2710 -2.2204 2.1878 H 1 UNL1111111111 0.1327 26 H -0.6276 -3.1673 1.3911 H 1 UNL1111111111 0.1434 27 H 0.4059 -3.9479 0.1896 H 1 UNL1111111111 0.1344 28 H 3.2134 -0.3027 1.7973 H 1 UNL1111111111 0.1404 29 H 1.6616 -0.0312 2.5941 H 1 UNL1111111111 0.1403 30 H 2.0423 1.7450 1.0070 H 1 UNL1111111111 0.1501 31 H -2.9386 -2.2916 0.7071 H 1 UNL1111111111 0.1475 32 H -1.0608 -2.9451 -1.6624 H 1 UNL1111111111 0.1453 33 H -1.9204 -4.0846 -0.6220 H 1 UNL1111111111 0.1352 34 H 2.5714 -3.5666 0.4490 H 1 UNL1111111111 0.1407 35 H 3.3411 -2.0710 -0.1022 H 1 UNL1111111111 0.1526 36 H 3.6268 -2.6644 1.5372 H 1 UNL1111111111 0.1400 37 H -3.8418 -2.8606 -1.6706 H 1 UNL1111111111 0.1432 38 H -4.3549 -1.3047 -1.0247 H 1 UNL1111111111 0.1534 39 H -3.0737 -1.3712 -2.2400 H 1 UNL1111111111 0.1517 40 H 1.8909 0.0667 -1.4950 H 1 UNL1111111111 0.1544 41 H 0.9252 3.4057 -0.2750 H 1 UNL1111111111 0.1625 42 H -0.6052 4.0458 0.3454 H 1 UNL1111111111 0.1781 43 H 0.5888 3.3929 1.4735 H 1 UNL1111111111 0.1581 44 H -5.0215 2.3616 -0.1040 H 1 UNL1111111111 0.1932 45 H 5.1852 -0.0774 -2.1882 H 1 UNL1111111111 0.1519 46 H 4.8388 1.5888 -2.6740 H 1 UNL1111111111 0.1533 47 H 3.6765 0.3065 -3.0251 H 1 UNL1111111111 0.1532 48 H 4.2378 1.5494 1.0760 H 1 UNL1111111111 0.1524 49 H 4.7357 2.6678 -0.1998 H 1 UNL1111111111 0.1558 50 H 5.6305 1.1647 0.0660 H 1 UNL1111111111 0.1511 @BOND 1 1 15 ar 2 1 21 ar 3 2 16 ar 4 2 21 ar 5 3 4 1 6 3 5 1 7 3 6 1 8 3 24 1 9 4 7 1 10 4 13 1 11 4 25 1 12 5 9 ar 13 5 11 ar 14 6 12 1 15 6 26 1 16 6 27 1 17 7 8 1 18 7 28 1 19 7 29 1 20 8 9 1 21 8 18 1 22 8 30 1 23 9 14 ar 24 10 11 1 25 10 12 1 26 10 17 1 27 10 31 1 28 11 15 ar 29 12 32 1 30 12 33 1 31 13 34 1 32 13 35 1 33 13 36 1 34 14 16 ar 35 14 19 1 36 15 16 ar 37 17 37 1 38 17 38 1 39 17 39 1 40 18 20 2 41 18 40 1 42 19 41 1 43 19 42 1 44 19 43 1 45 20 22 1 46 20 23 1 47 21 44 1 48 22 45 1 49 22 46 1 50 22 47 1 51 23 48 1 52 23 49 1 53 23 50 1