B1IT3Y -OEChem-04022113023D 81 85 0 1 0 0 0 0 0999 V2000 -7.4989 -0.7086 0.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5562 -2.5046 0.7761 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8798 -3.1166 1.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1544 -4.9821 1.2379 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6819 -0.4003 -0.0455 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6309 -1.3125 -1.0341 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3138 -2.0567 -0.8783 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 1.5073 0.2775 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7772 2.5109 0.7735 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5908 1.8737 1.1086 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1240 0.9486 -0.0166 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5202 0.3053 0.3385 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9294 2.4763 -0.2613 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2652 0.5839 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 -0.0831 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 3.6007 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5147 1.4694 0.7260 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6200 2.9480 1.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1405 3.5874 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9736 2.3515 1.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 0.6659 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0843 -0.4462 -0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9965 1.8618 -1.1583 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3873 -0.7225 1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9457 0.9807 1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5497 -0.6841 -0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4088 -0.0162 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7247 0.7254 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9627 2.9477 -1.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3779 -1.5194 -1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0572 0.3278 -1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 -1.9700 -1.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7122 -0.8437 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2786 -3.0680 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7908 -3.3324 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9281 -3.9054 0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 2.9874 1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4339 1.2566 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 1.5786 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 2.9468 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 1.1487 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9789 -0.2025 -1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1483 -0.7722 0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 -0.6910 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 3.4114 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5367 4.5821 0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6095 2.1117 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 3.5348 2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 3.6503 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6309 4.5601 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 3.4007 -2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6766 3.1696 2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8898 1.7812 2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1044 1.2347 2.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 0.3494 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8799 -0.2658 1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 0.1551 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5682 -1.4031 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5341 1.4343 -2.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -0.2833 2.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3532 -1.1508 1.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7547 -1.5683 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9698 0.5315 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 1.8386 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9283 1.0070 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1078 -0.1749 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5288 3.3758 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6739 2.5553 -2.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 3.7658 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1864 -2.2235 -2.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9196 0.0829 -2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7788 1.1514 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6129 -1.1944 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6713 -2.3843 -2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1862 -3.5552 -0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4928 -3.8213 -0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6335 -2.0656 -1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7842 -4.0226 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8082 -3.2140 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8326 -3.2347 1.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 -3.5104 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 2 0 0 0 0 2 34 1 0 0 0 0 2 80 1 0 0 0 0 3 36 1 0 0 0 0 3 81 1 0 0 0 0 4 36 2 0 0 0 0 5 6 1 0 0 0 0 5 27 2 0 0 0 0 6 30 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 7 35 1 0 0 0 0 7 77 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 12 17 1 0 0 0 0 12 22 1 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 13 23 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 25 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 26 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 23 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 27 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 28 31 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 31 33 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 34 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 36 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 M END $$$$