BA2RU8 -OEChem-04012116442D 92 99 0 1 0 0 0 0 0999 V2000 7.8054 -1.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8131 2.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 -1.4450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5587 2.1534 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6752 1.5966 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7719 -0.9428 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9392 -1.4450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0731 0.0550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8052 -0.9450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0731 -0.9450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9392 0.5550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8052 0.0550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6618 0.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 -2.1323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 2.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6712 0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8791 2.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 -2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2071 -1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6393 1.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5753 0.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5833 2.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4470 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2537 -2.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9765 0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4751 1.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1824 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3978 -1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8434 -0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7651 -1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2179 -0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3544 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8269 -0.8822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5413 -0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9257 -1.7821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6753 0.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5413 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 0.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 0.0294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1688 -2.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 -1.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 1.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4087 2.6269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6455 0.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8971 1.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8515 -1.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 3.3723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4914 3.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 -0.0685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4691 -0.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9572 -2.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1893 -1.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6702 -1.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3676 -2.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6164 2.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0061 1.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 1.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3395 1.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 -0.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3395 -0.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9897 2.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1915 2.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0505 -2.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 1.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5198 0.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0829 1.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6999 2.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 1.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 1.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -0.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -1.3484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 0.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 0.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 -0.0139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8179 2.7233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 -0.8247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4701 0.5292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0892 -2.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4440 -0.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7489 -2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 85 1 0 0 0 0 3 10 1 0 0 0 0 3 21 1 0 0 0 0 3 55 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 17 1 0 0 0 0 5 26 1 0 0 0 0 6 23 1 0 0 0 0 6 38 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 6 0 0 0 9 12 1 0 0 0 0 9 43 1 1 0 0 0 10 44 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 45 1 6 0 0 0 12 17 1 0 0 0 0 12 46 1 1 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 20 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 18 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 19 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 23 2 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 28 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 25 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 29 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 27 1 0 0 0 0 24 31 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 25 32 1 0 0 0 0 25 68 1 0 0 0 0 25 69 1 0 0 0 0 26 30 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 30 1 0 0 0 0 27 35 2 0 0 0 0 28 36 2 0 0 0 0 28 72 1 0 0 0 0 29 34 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 33 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 33 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 37 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 0 0 0 0 36 37 1 0 0 0 0 36 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 40 1 0 0 0 0 39 41 2 0 0 0 0 39 89 1 0 0 0 0 40 42 2 0 0 0 0 40 90 1 0 0 0 0 41 42 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 M END $$$$