B0JKZ8 -OEChem-04022116463D 43 46 0 1 0 0 0 0 0999 V2000 -2.9075 1.2709 -0.7992 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 1.3426 -2.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 1.8259 -0.5516 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7888 0.1296 0.0394 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7763 1.9225 0.3547 N 0 0 2 0 0 0 0 0 0 0 0 0 3.4890 -0.2691 0.3139 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9663 -1.0660 -0.8394 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6175 -1.7641 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5904 0.6632 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3577 -0.6180 -1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1168 0.3014 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2914 0.1126 1.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 1.0257 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 0.6479 1.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3661 1.5609 -0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 1.3720 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 2.3107 1.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9766 -0.4447 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9132 -0.8878 0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0947 -1.3516 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9679 -2.2380 0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1493 -2.7018 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 -3.1448 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3486 -1.2453 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 -2.1661 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 -2.3796 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 0.6999 1.7892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4107 1.6826 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0243 -1.4619 -1.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 0.0454 -2.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 -0.5273 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6399 -0.4499 2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 1.1914 -1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 0.4663 2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0374 2.1452 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7108 1.4389 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 2.8249 2.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 3.0203 1.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6053 -0.1978 1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3561 -1.0301 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -2.5829 1.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 -3.4079 -1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -4.1959 0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 18 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 31 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 2 0 0 0 0 13 33 1 0 0 0 0 14 16 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M END $$$$