B5KWI0 -OEChem-04042106283D 58 62 0 1 0 0 0 0 0999 V2000 0.4156 -0.7621 1.7766 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0864 3.8210 0.2263 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2063 -3.3138 0.3639 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6021 1.2459 0.9028 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1813 -1.7879 -0.2532 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.2093 -0.0770 N 0 0 1 0 0 0 0 0 0 0 0 0 2.5408 -0.1482 0.0879 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3147 -0.9797 0.3656 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7579 -0.3952 -0.7287 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3408 1.0574 -0.4003 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9926 -1.1262 -0.4915 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 -0.4098 -0.4238 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4271 -1.3205 0.5319 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4423 0.9066 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0226 -1.5054 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 0.6450 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 -0.4060 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9346 -0.8085 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4315 0.2680 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8222 0.5495 -0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1493 0.1759 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8488 -2.2746 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4892 0.0240 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 1.7285 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2832 -2.3895 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6736 1.4835 0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0462 -1.3108 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0129 -0.1469 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 1.9533 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3572 1.0091 0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5258 2.5645 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8379 2.3011 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6273 0.4895 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3090 -0.9283 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2565 -0.9358 -1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 -2.2972 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 1.5318 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4427 1.4876 0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 -2.0775 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 -2.1037 0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 1.6149 -1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 0.1908 -2.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1806 -1.1538 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 0.5211 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.9998 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8544 -0.0836 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5741 -1.7531 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0714 1.1723 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4933 -0.5156 -1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2924 2.4593 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6916 -3.3871 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6527 1.7095 0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0906 -1.4088 -0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5950 2.8628 1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 -2.0111 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5408 3.1088 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4565 0.4348 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9874 1.0388 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 31 1 0 0 0 0 3 22 2 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 34 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 7 45 1 0 0 0 0 8 18 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 20 2 0 0 0 0 9 28 1 0 0 0 0 10 23 1 0 0 0 0 10 32 2 0 0 0 0 11 28 1 0 0 0 0 11 34 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 23 27 1 0 0 0 0 24 29 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 31 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 31 32 1 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$