B9MUR7 -OEChem-04042104273D 51 53 0 1 0 0 0 0 0999 V2000 -5.0805 0.9131 -0.3870 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 -1.9840 -1.1467 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 -3.2757 -1.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 2.2525 0.0401 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7537 0.7169 -1.6609 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 2.4325 0.8095 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9568 1.2347 2.4395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1325 -0.2383 0.3869 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 -2.6503 0.7112 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5349 1.3469 1.2645 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9500 0.3067 1.7653 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5379 1.7831 1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 2.0512 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2634 0.8625 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 0.2119 2.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 -1.5729 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 3.2787 -0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 0.8825 -1.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -2.5795 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3779 3.3074 -1.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 2.1178 -2.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 -3.4346 0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 -2.6357 -0.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4044 -1.7533 -0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6491 -0.0975 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5457 0.2033 0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4234 -0.6247 0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -2.0541 -1.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6304 -1.2262 -1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 0.2250 0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1505 -0.2334 2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 2.4536 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 1.8869 1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 0.7768 2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1045 0.6136 3.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5953 -0.8211 2.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7772 4.1961 0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 -0.0150 -2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8783 -2.1416 2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 -3.2081 1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 4.2562 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9393 2.1565 -3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 -4.0350 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 -4.1328 1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 -2.1573 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -0.3513 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 -2.9326 -1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4797 -1.4891 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0282 0.8094 0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3376 -0.8121 0.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5837 0.2849 1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 25 1 0 0 0 0 1 30 1 0 0 0 0 2 16 2 0 0 0 0 3 23 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 45 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$