BDTY94 -OEChem-04012113073D 68 71 0 1 0 0 0 0 0999 V2000 1.4927 5.0495 0.1851 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4359 1.7270 -1.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0972 0.8966 -2.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3692 3.2894 0.8158 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 -0.1620 0.2258 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 2.4062 0.3144 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 2.0035 1.2404 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1958 2.3462 1.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 3.6445 1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 4.3590 0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1411 1.1982 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 -1.1560 -0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 3.5029 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0959 -1.9237 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -2.0506 -0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5608 -2.7565 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7778 -1.4220 -0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1265 2.4250 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -2.1960 1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3296 -0.7159 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -4.0871 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4877 -1.5464 -1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 1.0411 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8234 -2.9659 2.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5913 -0.1344 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 -4.8569 1.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7494 -0.9648 -1.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6582 0.3406 -1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 -4.2962 2.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3011 -0.2589 -0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2772 0.4563 0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 -0.9445 -1.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -0.8288 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 -1.5292 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0982 0.1099 -3.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 1.4980 1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 1.5673 1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 2.5437 3.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 3.4169 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 4.2368 1.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 4.9666 1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4151 4.9927 0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 -0.6493 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8061 -0.4863 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 -1.2150 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 -2.5782 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 -2.4040 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4068 -2.9570 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 1.4888 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 2.9586 -1.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6822 3.0023 0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 -1.1573 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7917 -0.6231 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 -4.5387 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0675 -2.0914 -2.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4689 -2.5280 2.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0215 0.4135 1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2734 -5.8930 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3019 -1.0609 -2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7539 -4.8953 3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2835 0.1938 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3128 0.9892 1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1977 -1.5490 -2.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -1.2851 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 -2.5307 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 -0.0988 -4.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -0.8011 -3.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 0.7065 -4.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 11 2 0 0 0 0 3 28 1 0 0 0 0 3 35 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 44 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 43 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 24 1 0 0 0 0 19 52 1 0 0 0 0 20 25 1 0 0 0 0 20 53 1 0 0 0 0 21 26 2 0 0 0 0 21 54 1 0 0 0 0 22 27 2 0 0 0 0 22 55 1 0 0 0 0 23 28 1 0 0 0 0 23 31 2 0 0 0 0 24 29 2 0 0 0 0 24 56 1 0 0 0 0 25 30 2 0 0 0 0 25 57 1 0 0 0 0 26 29 1 0 0 0 0 26 58 1 0 0 0 0 27 30 1 0 0 0 0 27 59 1 0 0 0 0 28 32 2 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 31 33 1 0 0 0 0 31 62 1 0 0 0 0 32 34 1 0 0 0 0 32 63 1 0 0 0 0 33 34 2 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 M END $$$$