BKNT89 -OEChem-04022104523D 50 53 0 1 0 0 0 0 0999 V2000 -3.7795 -2.0836 -0.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 1.0415 -0.6225 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3188 0.0826 0.1047 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 2.3973 0.8486 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1154 0.3394 -1.0624 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1036 1.2937 -0.4595 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9387 1.7300 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3679 -0.0176 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.1846 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -0.9756 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5747 0.6128 -0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6921 -0.1118 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4721 -1.3030 1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7302 0.2854 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6788 -0.6725 1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -1.0582 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2541 0.5570 1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0764 -1.3358 -0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6114 0.2794 0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0226 -0.6669 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 -0.9569 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7348 0.0843 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4631 1.2172 0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4004 -1.0699 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8569 1.1960 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7943 -1.0912 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5225 0.0418 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7175 -0.4622 -1.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 1.7610 0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 2.5085 -1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4647 1.8160 -2.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 1.9281 -0.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6938 -0.7653 0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 0.6562 1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3811 -1.4720 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6472 1.3490 -1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4322 -2.0489 2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 0.7731 -0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5787 -0.9282 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0087 -1.5853 -1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0526 1.2922 1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 -2.0730 -1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3066 0.7975 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 0.9724 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 -1.9881 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4370 2.0716 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3141 -1.9892 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6077 0.0250 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3644 3.2031 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 2.4509 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 32 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 44 1 0 0 0 0 4 23 1 0 0 0 0 4 49 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 11 14 2 0 0 0 0 11 36 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$