B0PUR8 -OEChem-04012112412D 77 81 0 1 0 0 0 0 0999 V2000 5.5321 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.9050 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.1923 1.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9523 1.6297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.0950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1301 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2641 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9523 -0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8583 0.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8583 1.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 -1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 -1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 0.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0087 0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 -0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1957 0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9928 0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8588 2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0617 2.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7894 -0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5477 -0.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3459 -0.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0674 -0.5095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4692 0.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4692 1.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0674 1.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9451 2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 68 1 0 0 0 0 2 21 2 0 0 0 0 3 22 2 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 5 23 1 0 0 0 0 6 30 2 0 0 0 0 6 33 1 0 0 0 0 7 33 1 0 0 0 0 7 37 1 0 0 0 0 7 77 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 17 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 18 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 19 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 21 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 25 2 0 0 0 0 22 26 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 27 1 0 0 0 0 24 60 1 0 0 0 0 25 28 1 0 0 0 0 25 61 1 0 0 0 0 26 29 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 2 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 31 36 2 0 0 0 0 31 69 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 M END $$$$