@MOLECULE stypoldione 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4908 0.4920 0.8517 O.2 1 UNL1111111111 -0.3219 2 O 5.8310 -1.9016 0.8632 O.3 1 UNL1111111111 -0.5646 3 O -4.9418 -0.7237 -1.9981 O.2 1 UNL1111111111 -0.3616 4 O -5.8347 -2.4968 -0.0965 O.2 1 UNL1111111111 -0.3435 5 C 0.1078 1.0343 -0.8737 C.3 1 UNL1111111111 0.0411 6 C 2.5665 0.7704 0.0180 C.3 1 UNL1111111111 0.0762 7 C 1.1074 1.2618 0.2952 C.3 1 UNL1111111111 -0.1478 8 C 2.4517 -0.7421 -0.3335 C.3 1 UNL1111111111 -0.1455 9 C -1.3172 1.3686 -0.3302 C.3 1 UNL1111111111 0.2172 10 C 0.1535 -0.4495 -1.2975 C.3 1 UNL1111111111 -0.2943 11 C 3.7958 -1.5101 -0.4277 C.3 1 UNL1111111111 0.0383 12 C 1.5800 -0.9282 -1.5821 C.3 1 UNL1111111111 -0.2723 13 C 1.0443 2.7239 0.7656 C.3 1 UNL1111111111 -0.2851 14 C 3.3690 0.8853 1.3423 C.3 1 UNL1111111111 -0.2937 15 C -1.4312 2.8007 0.2201 C.3 1 UNL1111111111 -0.1252 16 C -0.3570 3.0419 1.2939 C.3 1 UNL1111111111 -0.2796 17 C 4.5634 -1.2829 0.9046 C.3 1 UNL1111111111 0.1386 18 C 0.3552 1.9221 -2.0999 C.3 1 UNL1111111111 -0.4634 19 C 3.2590 1.6200 -1.0506 C.3 1 UNL1111111111 -0.4558 20 C 4.7317 0.1977 1.2586 C.3 1 UNL1111111111 -0.3300 21 C -2.4744 0.9894 -1.3071 C.3 1 UNL1111111111 -0.2825 22 C 3.5104 -3.0236 -0.5194 C.3 1 UNL1111111111 -0.4641 23 C 4.6561 -1.1203 -1.6328 C.3 1 UNL1111111111 -0.4616 24 C -2.8100 3.0704 0.8310 C.3 1 UNL1111111111 -0.4503 25 C -3.1906 -0.0810 -0.5557 C.2 1 UNL1111111111 -0.3154 26 C -2.5633 -0.2895 0.6325 C.2 1 UNL1111111111 0.2417 27 C -4.3553 -0.8335 -0.9532 C.2 1 UNL1111111111 0.3806 28 C -2.9625 -1.2756 1.6257 C.2 1 UNL1111111111 0.0660 29 C -4.8369 -1.8553 0.1037 C.2 1 UNL1111111111 0.3371 30 C -4.0513 -2.0161 1.3497 C.2 1 UNL1111111111 -0.2871 31 C -2.1388 -1.3917 2.8507 C.3 1 UNL1111111111 -0.4485 32 H 0.7370 0.6277 1.1475 H 1 UNL1111111111 0.1487 33 H 1.9001 -1.2153 0.5255 H 1 UNL1111111111 0.1380 34 H -0.4742 -0.6117 -2.1944 H 1 UNL1111111111 0.1450 35 H -0.2915 -1.0803 -0.5035 H 1 UNL1111111111 0.1467 36 H 1.5544 -1.9938 -1.8804 H 1 UNL1111111111 0.1418 37 H 2.0075 -0.3889 -2.4460 H 1 UNL1111111111 0.1392 38 H 1.3136 3.4161 -0.0522 H 1 UNL1111111111 0.1403 39 H 1.7867 2.9069 1.5649 H 1 UNL1111111111 0.1402 40 H 2.7839 0.4498 2.1740 H 1 UNL1111111111 0.1389 41 H 3.5144 1.9518 1.5988 H 1 UNL1111111111 0.1407 42 H -1.2657 3.5083 -0.6289 H 1 UNL1111111111 0.1469 43 H -0.5741 2.4189 2.1838 H 1 UNL1111111111 0.1476 44 H -0.4025 4.0909 1.6401 H 1 UNL1111111111 0.1381 45 H 4.0707 -1.8369 1.7387 H 1 UNL1111111111 0.1393 46 H -0.4950 1.9119 -2.7909 H 1 UNL1111111111 0.1463 47 H 0.5438 2.9649 -1.8248 H 1 UNL1111111111 0.1487 48 H 1.2257 1.5785 -2.6711 H 1 UNL1111111111 0.1583 49 H 4.3496 1.5997 -0.9479 H 1 UNL1111111111 0.1432 50 H 3.0290 1.2720 -2.0632 H 1 UNL1111111111 0.1478 51 H 2.9596 2.6714 -0.9868 H 1 UNL1111111111 0.1447 52 H 5.3830 0.6997 0.5208 H 1 UNL1111111111 0.1419 53 H 5.2658 0.2844 2.2250 H 1 UNL1111111111 0.1500 54 H -2.1079 0.6295 -2.2864 H 1 UNL1111111111 0.1685 55 H -3.1292 1.8482 -1.5400 H 1 UNL1111111111 0.1671 56 H 2.7675 -3.3463 0.2161 H 1 UNL1111111111 0.1427 57 H 3.1464 -3.3098 -1.5103 H 1 UNL1111111111 0.1441 58 H 4.4270 -3.5991 -0.3282 H 1 UNL1111111111 0.1611 59 H 5.0993 -0.1264 -1.5231 H 1 UNL1111111111 0.1448 60 H 5.4738 -1.8359 -1.7846 H 1 UNL1111111111 0.1458 61 H 4.0660 -1.1141 -2.5561 H 1 UNL1111111111 0.1500 62 H -3.0475 2.3444 1.6180 H 1 UNL1111111111 0.1534 63 H -2.8547 4.0689 1.2799 H 1 UNL1111111111 0.1452 64 H -3.6113 3.0156 0.0855 H 1 UNL1111111111 0.1511 65 H 6.3859 -1.5298 0.1512 H 1 UNL1111111111 0.3131 66 H -4.4274 -2.7812 2.0292 H 1 UNL1111111111 0.1853 67 H -1.0904 -1.6351 2.6056 H 1 UNL1111111111 0.1759 68 H -2.5016 -2.1621 3.5450 H 1 UNL1111111111 0.1635 69 H -2.1108 -0.4374 3.4042 H 1 UNL1111111111 0.1728 @BOND 1 1 9 1 2 1 26 1 3 2 17 1 4 2 65 1 5 3 27 2 6 4 29 2 7 5 7 1 8 5 9 1 9 5 10 1 10 5 18 1 11 6 7 1 12 6 8 1 13 6 14 1 14 6 19 1 15 7 13 1 16 7 32 1 17 8 11 1 18 8 12 1 19 8 33 1 20 9 15 1 21 9 21 1 22 10 12 1 23 10 34 1 24 10 35 1 25 11 17 1 26 11 22 1 27 11 23 1 28 12 36 1 29 12 37 1 30 13 16 1 31 13 38 1 32 13 39 1 33 14 20 1 34 14 40 1 35 14 41 1 36 15 16 1 37 15 24 1 38 15 42 1 39 16 43 1 40 16 44 1 41 17 20 1 42 17 45 1 43 18 46 1 44 18 47 1 45 18 48 1 46 19 49 1 47 19 50 1 48 19 51 1 49 20 52 1 50 20 53 1 51 21 25 1 52 21 54 1 53 21 55 1 54 22 56 1 55 22 57 1 56 22 58 1 57 23 59 1 58 23 60 1 59 23 61 1 60 24 62 1 61 24 63 1 62 24 64 1 63 25 26 2 64 25 27 1 65 26 28 1 66 27 29 1 67 28 30 2 68 28 31 1 69 29 30 1 70 30 66 1 71 31 67 1 72 31 68 1 73 31 69 1