B5MFA3 -OEChem-04022109473D 59 61 0 1 0 0 0 0 0999 V2000 5.6840 2.7090 -1.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0663 2.4438 -0.0508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7066 -1.9540 1.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 1.7261 1.5119 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -0.7487 -0.2908 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 -2.1042 -0.8613 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -1.5029 0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2726 0.5290 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.8398 0.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9282 1.5125 -1.2473 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4403 -2.6450 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 1.8733 -1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 -2.5131 1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 -2.5965 -1.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2055 -2.2845 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1087 -2.3329 0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8032 -2.4164 -1.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9195 -1.7809 -0.9063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 2.2664 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6703 -1.9528 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6354 -0.4783 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7605 2.1512 -0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 2.2003 1.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6271 -0.4003 0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3068 0.6499 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 1.9700 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 2.0190 2.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 1.9038 1.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2902 0.8058 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9698 1.8561 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9616 1.9340 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 -1.6974 1.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0965 -0.9245 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0212 0.9927 0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 0.3690 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 -3.3931 1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 -3.4708 0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2304 1.1011 -2.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 -1.2856 -1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8721 0.9687 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2804 2.6252 -2.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 -2.5463 2.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8999 -2.7041 -1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6148 -2.2364 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 -2.3813 -2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 2.4681 -1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 -2.0785 -1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -1.8758 -1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5856 -2.6227 -0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 2.2254 -1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2228 2.2878 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8910 -1.2717 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 0.6018 -2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3384 1.8873 -0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 1.9671 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0618 0.8668 1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7125 2.7350 -1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4772 2.8733 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 1.6782 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 46 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 20 2 0 0 0 0 4 28 1 0 0 0 0 4 59 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 39 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 6 47 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 0 0 0 0 14 17 2 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 23 27 2 0 0 0 0 23 51 1 0 0 0 0 24 29 1 0 0 0 0 24 52 1 0 0 0 0 25 30 2 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$