BKOB71 -OEChem-04012113173D 41 42 0 1 0 0 0 0 0999 V2000 -5.5806 -1.1168 -0.3002 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0351 -2.6478 -0.4826 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2916 -1.5815 1.3996 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3911 4.7995 0.0210 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1785 -0.9965 1.7566 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8097 -2.3044 2.3923 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 -3.1613 1.3166 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4285 -0.2494 -1.8135 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6095 -1.8505 0.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9699 0.2289 -0.5025 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8903 -0.7925 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3844 0.1037 -1.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3231 -0.3931 -0.3981 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6275 1.3118 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 -0.0282 -1.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3195 -1.4417 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 2.5445 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6298 1.1726 1.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6672 -0.8880 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9164 0.7112 -2.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.0106 -0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 0.5886 -2.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 3.6230 0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2894 2.2511 2.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8722 -0.2722 -1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0557 3.4763 1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 -2.0767 1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 -1.0330 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 -1.7345 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7584 -0.7928 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 0.9429 -2.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 0.5731 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 2.7125 -1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8566 0.2364 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0145 -1.4966 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 1.3844 -3.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2607 -1.1190 -2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9404 1.1635 -3.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2851 2.1356 3.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9533 -0.3633 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3225 4.3156 2.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 23 1 0 0 0 0 5 27 1 0 0 0 0 6 27 1 0 0 0 0 7 27 1 0 0 0 0 8 13 1 0 0 0 0 8 37 1 0 0 0 0 9 21 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 23 1 0 0 0 0 17 33 1 0 0 0 0 18 24 2 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$