BU5N4E -OEChem-04012112362D 76 79 0 1 0 0 0 0 0999 V2000 5.5000 -2.6264 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -3.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7764 -0.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6569 2.8318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3511 2.4717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4706 -1.1319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1922 1.1846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2043 3.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -2.1264 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2796 -2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9487 -1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4487 -0.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7274 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 0.5154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8864 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0453 2.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -4.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4001 2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2533 3.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -4.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -5.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 4.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3296 5.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1707 4.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4275 4.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6354 5.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 -1.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 -3.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7812 -2.8976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3636 -2.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4503 -1.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0151 -0.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2571 -0.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0642 1.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9727 0.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5060 0.8028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 2.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4747 1.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6025 0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 2.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1670 3.7037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6336 3.1114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -4.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 -4.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3332 4.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6651 2.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -5.9364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 -5.9364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -6.7464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.7604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4397 3.5777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1934 4.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 5.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 3.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7154 6.7328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 4.6476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1747 6.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 5 15 2 0 0 0 0 6 22 1 0 0 0 0 6 34 1 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 16 9 1 1 0 0 0 9 22 1 0 0 0 0 9 53 1 0 0 0 0 10 23 1 0 0 0 0 10 62 1 0 0 0 0 10 63 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 25 2 0 0 0 0 21 27 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 28 1 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 26 30 2 0 0 0 0 26 60 1 0 0 0 0 27 31 2 0 0 0 0 27 61 1 0 0 0 0 28 32 2 0 0 0 0 28 64 1 0 0 0 0 29 33 2 0 0 0 0 29 65 1 0 0 0 0 30 32 1 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 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 36 2 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 72 1 0 0 0 0 37 39 2 0 0 0 0 37 73 1 0 0 0 0 38 40 2 0 0 0 0 38 74 1 0 0 0 0 39 40 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 M END $$$$