B4T3YE -OEChem-04042102103D 42 44 0 0 0 0 0 0 0999 V2000 -3.6404 -1.5894 1.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7089 -2.3447 0.1369 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -0.5714 0.3282 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 0.1738 -0.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1580 -1.6702 -1.9844 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 -0.3838 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8768 0.3229 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -0.0143 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1305 -0.0784 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -1.2589 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 0.6760 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8638 -1.0742 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4709 0.8607 -0.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 1.6255 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1951 0.8229 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 2.5270 0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1412 -0.1299 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7934 -0.5889 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0058 2.1256 0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3606 -1.4318 -0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1831 -0.4108 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3917 0.5929 -1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4757 0.0309 0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6841 1.0348 -1.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7262 0.7537 -0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -1.5391 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8848 -2.0878 1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 1.3591 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 -1.7919 1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 1.6875 -1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7297 1.9610 1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9939 1.0026 -0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1772 0.5224 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 3.5396 1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 2.8270 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0094 -0.9678 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6233 0.8021 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2870 -0.1871 1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8818 1.5897 -2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7329 1.0961 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8654 -0.9373 -2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2971 -2.5948 -2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 20 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 26 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 32 1 0 0 0 0 5 20 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 15 2 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 13 2 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$