B1A4MI -OEChem-04012114122D 108112 0 1 0 0 0 0 0999 V2000 2.5357 2.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 0.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3767 -6.3284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3834 -8.0642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 1.4600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -7.2002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 3.9262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 4.4262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 3.9193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9288 4.4262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2787 2.8777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0789 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 5.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 5.9608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1808 2.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 5.4470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8228 3.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 2.3280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 5.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 4.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 4.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7056 3.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 5.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7977 7.0455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2945 4.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2709 3.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 2.8705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4120 3.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6726 5.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 7.6024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6726 7.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5987 4.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 1.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9222 7.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7173 8.6024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 0.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8533 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 -1.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -2.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3633 -2.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -3.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 -4.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8734 -5.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3767 -6.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 4.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 2.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 3.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0786 6.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 1.8809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 1.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4182 3.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2164 3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 6.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 5.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 4.9500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 4.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9379 3.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3397 4.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 2.7616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 2.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1805 3.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 6.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2674 6.7242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 4.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 5.5393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 4.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6884 3.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 2.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8535 3.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 2.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 4.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 3.8541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8817 5.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2835 6.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2628 7.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2835 6.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8817 7.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2928 4.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1380 4.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9045 5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 1.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 0.9282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 1.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2267 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2218 8.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 7.8283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6226 6.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3372 8.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7101 9.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0973 8.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 0.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3799 -0.6724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8332 -1.5328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -0.7357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3835 -1.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 -2.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 -3.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 -2.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3902 -3.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3933 -4.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8465 -4.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8434 -4.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 -5.0714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -5.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -7.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 -8.6024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 6 0 0 0 1 92 1 0 0 0 0 2 36 2 0 0 0 0 3 44 2 0 0 0 0 4 6 1 0 0 0 0 4108 1 0 0 0 0 18 5 1 1 0 0 0 5 36 1 0 0 0 0 5 85 1 0 0 0 0 6 44 1 0 0 0 0 6107 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 1 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 45 1 6 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 25 1 1 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 10 26 1 6 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 46 1 6 0 0 0 12 15 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 23 2 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 14 49 1 1 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 21 1 0 0 0 0 16 29 1 0 0 0 0 16 32 1 1 0 0 0 17 21 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 27 1 0 0 0 0 18 33 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 28 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 24 30 1 0 0 0 0 24 34 1 1 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 31 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 6 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 35 91 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 38 39 1 0 0 0 0 38 95 1 0 0 0 0 38 96 1 0 0 0 0 39 40 1 0 0 0 0 39 97 1 0 0 0 0 39 98 1 0 0 0 0 40 41 1 0 0 0 0 40 99 1 0 0 0 0 40100 1 0 0 0 0 41 42 1 0 0 0 0 41101 1 0 0 0 0 41102 1 0 0 0 0 42 43 1 0 0 0 0 42103 1 0 0 0 0 42104 1 0 0 0 0 43 44 1 0 0 0 0 43105 1 0 0 0 0 43106 1 0 0 0 0 M END $$$$