@MOLECULE pseudoirroratin a 53 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0352 -2.0241 1.3414 O.3 1 UNL1111111111 -0.4844 2 O 0.6464 -2.9633 -0.6598 O.3 1 UNL1111111111 -0.6036 3 O 0.8962 3.1043 0.0232 O.3 1 UNL1111111111 -0.5622 4 O 2.2805 1.6406 1.7141 O.3 1 UNL1111111111 -0.5732 5 O 2.3623 1.1110 -2.1997 O.2 1 UNL1111111111 -0.4104 6 C -1.2130 -0.6571 -0.1881 C.3 1 UNL1111111111 0.0219 7 C 0.3079 -0.6211 -0.5667 C.3 1 UNL1111111111 -0.1950 8 C 1.0914 0.6559 -0.1713 C.3 1 UNL1111111111 -0.1745 9 C -1.8908 0.7203 -0.3206 C.3 1 UNL1111111111 -0.1384 10 C 0.8495 -1.8633 0.1950 C.3 1 UNL1111111111 0.4893 11 C 0.2508 1.9232 -0.3653 C.3 1 UNL1111111111 0.1766 12 C 1.7086 0.4376 1.2391 C.3 1 UNL1111111111 0.1441 13 C -1.0762 1.7948 0.3988 C.3 1 UNL1111111111 -0.3428 14 C -3.3992 0.7226 0.0444 C.3 1 UNL1111111111 0.1093 15 C 2.8891 -0.5305 0.9274 C.3 1 UNL1111111111 -0.1511 16 C -1.1711 -1.2703 1.2254 C.3 1 UNL1111111111 -0.0389 17 C -1.9567 -1.6133 -1.1473 C.3 1 UNL1111111111 -0.2924 18 C 2.3009 -1.9248 0.6994 C.3 1 UNL1111111111 -0.3484 19 C 2.3333 0.6810 -1.0829 C.2 1 UNL1111111111 0.4617 20 C -4.1164 -0.3302 -0.8359 C.3 1 UNL1111111111 -0.2988 21 C -3.4453 -1.7054 -0.7980 C.3 1 UNL1111111111 -0.2667 22 C 3.4477 0.0082 -0.3618 C.2 1 UNL1111111111 -0.1180 23 C -3.6813 0.4661 1.5288 C.3 1 UNL1111111111 -0.4679 24 C -3.9965 2.1010 -0.3176 C.3 1 UNL1111111111 -0.4721 25 C 4.6976 -0.0705 -0.8054 C.2 1 UNL1111111111 -0.2330 26 H 0.4106 -0.7793 -1.6675 H 1 UNL1111111111 0.1858 27 H -1.8613 0.9700 -1.4219 H 1 UNL1111111111 0.1527 28 H 0.0764 2.1035 -1.4584 H 1 UNL1111111111 0.1575 29 H 0.9904 0.0524 1.9841 H 1 UNL1111111111 0.1422 30 H -1.5903 2.7749 0.3919 H 1 UNL1111111111 0.1656 31 H -0.9104 1.5592 1.4604 H 1 UNL1111111111 0.1421 32 H 3.6386 -0.5313 1.7427 H 1 UNL1111111111 0.1605 33 H -1.1328 -0.5161 2.0274 H 1 UNL1111111111 0.1296 34 H -1.9773 -1.9924 1.4278 H 1 UNL1111111111 0.1374 35 H -1.5002 -2.6220 -1.1179 H 1 UNL1111111111 0.1600 36 H -1.8355 -1.2691 -2.1918 H 1 UNL1111111111 0.1467 37 H 2.9137 -2.4928 -0.0317 H 1 UNL1111111111 0.1795 38 H 2.3290 -2.5169 1.6364 H 1 UNL1111111111 0.1673 39 H -4.1489 0.0300 -1.8824 H 1 UNL1111111111 0.1407 40 H -5.1710 -0.4200 -0.5178 H 1 UNL1111111111 0.1348 41 H -3.9515 -2.3861 -1.5096 H 1 UNL1111111111 0.1342 42 H -3.5824 -2.1697 0.1961 H 1 UNL1111111111 0.1325 43 H -4.7152 0.7288 1.7834 H 1 UNL1111111111 0.1455 44 H -3.5557 -0.5860 1.7979 H 1 UNL1111111111 0.1435 45 H -3.0284 1.0648 2.1717 H 1 UNL1111111111 0.1464 46 H -3.6490 2.8827 0.3663 H 1 UNL1111111111 0.1496 47 H -3.7266 2.4073 -1.3334 H 1 UNL1111111111 0.1476 48 H -5.0894 2.0857 -0.2587 H 1 UNL1111111111 0.1424 49 H 0.3962 -3.7632 -0.1563 H 1 UNL1111111111 0.3410 50 H 1.4880 2.9403 0.7888 H 1 UNL1111111111 0.3417 51 H 2.2627 1.6778 2.6890 H 1 UNL1111111111 0.3299 52 H 5.4987 -0.5557 -0.2682 H 1 UNL1111111111 0.1475 53 H 5.0080 0.3567 -1.7530 H 1 UNL1111111111 0.1645 @BOND 1 1 10 1 2 1 16 1 3 2 10 1 4 2 49 1 5 3 11 1 6 3 50 1 7 4 12 1 8 4 51 1 9 5 19 2 10 6 7 1 11 6 9 1 12 6 16 1 13 6 17 1 14 7 8 1 15 7 10 1 16 7 26 1 17 8 11 1 18 8 12 1 19 8 19 1 20 9 13 1 21 9 14 1 22 9 27 1 23 10 18 1 24 11 13 1 25 11 28 1 26 12 15 1 27 12 29 1 28 13 30 1 29 13 31 1 30 14 20 1 31 14 23 1 32 14 24 1 33 15 18 1 34 15 22 1 35 15 32 1 36 16 33 1 37 16 34 1 38 17 21 1 39 17 35 1 40 17 36 1 41 18 37 1 42 18 38 1 43 19 22 1 44 20 21 1 45 20 39 1 46 20 40 1 47 21 41 1 48 21 42 1 49 22 25 2 50 23 43 1 51 23 44 1 52 23 45 1 53 24 46 1 54 24 47 1 55 24 48 1 56 25 52 1 57 25 53 1