BXN3K4 -OEChem-04012115193D 76 81 0 1 0 0 0 0 0999 V2000 1.6451 1.7223 2.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7929 -0.9101 -0.5599 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5225 -2.4621 0.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 2.5218 -1.4968 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5374 3.5330 0.2669 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4964 -1.4570 -0.4651 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7695 -2.1064 -0.5286 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2951 -3.0430 -0.2708 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 1.6314 4.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1384 -3.1388 0.1262 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9474 1.9461 -0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 2.5838 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 3.4836 -1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 0.8943 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 2.2552 -2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 4.2235 -2.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6291 2.3160 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 3.9780 -3.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 2.9546 -3.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5963 -0.4489 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2865 1.2242 -0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2424 0.2150 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7994 -1.0979 -0.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3606 1.8952 2.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7076 4.7220 -4.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9157 2.4764 2.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9244 -2.6244 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -1.2939 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8712 -3.3178 -0.5787 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2396 -0.9018 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2551 -1.7341 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1642 -1.9647 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1695 2.2147 3.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2785 -0.8544 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 -3.4986 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -3.0544 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6733 -0.3657 0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3281 -2.1651 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1108 1.7984 4.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8998 -1.2820 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1368 -3.7964 -2.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9446 -0.7686 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 -4.4265 -0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9362 -3.1657 1.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6031 1.2887 3.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 1.4881 -3.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9215 4.9803 -1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1155 2.7734 -4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6104 2.2623 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2665 0.5486 -0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 4.0322 -5.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 5.4681 -4.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9887 5.2477 -5.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 2.8267 1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2561 -4.0771 -0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 -3.0493 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1633 2.3379 4.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0427 0.1796 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 -4.5379 -0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4164 0.6590 0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7698 -3.7557 -0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 1.5826 5.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6518 -4.7631 -2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7479 -3.0775 -2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1951 -3.9128 -2.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7392 -0.0809 0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3074 -4.6392 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1228 -5.0990 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6988 -4.6081 -0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7784 -3.8936 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2782 -2.3595 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5265 -4.1252 1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8996 -3.0266 2.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5689 1.2034 2.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 2.0196 4.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3442 0.3010 3.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 45 1 0 0 0 0 2 32 2 0 0 0 0 3 38 2 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 12 1 0 0 0 0 5 13 2 0 0 0 0 6 20 1 0 0 0 0 6 23 2 0 0 0 0 7 23 1 0 0 0 0 7 32 1 0 0 0 0 7 56 1 0 0 0 0 8 27 1 0 0 0 0 8 38 1 0 0 0 0 8 43 1 0 0 0 0 9 24 1 0 0 0 0 9 39 2 0 0 0 0 10 29 1 0 0 0 0 10 44 1 0 0 0 0 10 70 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 19 2 0 0 0 0 15 46 1 0 0 0 0 16 18 2 0 0 0 0 16 47 1 0 0 0 0 17 24 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 48 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 33 2 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 35 1 0 0 0 0 28 34 1 0 0 0 0 28 37 1 0 0 0 0 29 32 1 0 0 0 0 29 41 1 0 0 0 0 29 55 1 0 0 0 0 30 40 3 0 0 0 0 31 34 2 0 0 0 0 31 36 1 0 0 0 0 31 40 1 0 0 0 0 33 39 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 36 2 0 0 0 0 35 59 1 0 0 0 0 36 61 1 0 0 0 0 37 42 2 0 0 0 0 37 60 1 0 0 0 0 38 42 1 0 0 0 0 39 62 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 41 65 1 0 0 0 0 42 66 1 0 0 0 0 43 67 1 0 0 0 0 43 68 1 0 0 0 0 43 69 1 0 0 0 0 44 71 1 0 0 0 0 44 72 1 0 0 0 0 44 73 1 0 0 0 0 45 74 1 0 0 0 0 45 75 1 0 0 0 0 45 76 1 0 0 0 0 M END $$$$