B54KBY -OEChem-04042103563D 46 48 0 0 0 0 0 0 0999 V2000 -2.7654 -2.0797 -1.1331 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6012 -1.5421 -2.4767 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2877 -3.4280 -0.9616 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 1.5801 -0.7882 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5449 0.8882 -0.7223 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 -1.0003 -0.2244 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -0.2573 -0.1448 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -1.6570 1.5277 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1763 -0.0633 0.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0127 1.3384 0.5524 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2275 -1.9962 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9283 -1.0318 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 -1.8974 1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 -1.0489 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 -2.8781 0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 -2.8427 1.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 0.4121 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -0.6688 0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 1.3147 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9596 1.6050 1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1831 1.8621 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7205 1.0059 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 2.4427 1.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2816 2.7000 -0.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7941 2.3889 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7190 2.9903 0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6321 1.8632 -1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4658 -0.3533 -1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7051 -3.6074 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2654 -1.3828 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7988 0.7374 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 0.5201 0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4538 -3.5310 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1892 0.4844 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 -0.4401 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4542 1.1831 2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 1.6416 -2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3991 2.6683 2.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7967 3.1259 -1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4395 2.7921 0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1258 3.1829 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4277 0.8099 1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5744 3.6424 0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2043 2.6772 -1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0043 1.3969 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0658 0.5799 -1.4833 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 6 1 0 0 0 0 1 11 1 0 0 0 0 4 22 2 0 0 0 0 5 27 1 0 0 0 0 5 46 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 34 1 0 0 0 0 8 13 1 0 0 0 0 8 18 2 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 9 35 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 10 42 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 24 2 0 0 0 0 21 37 1 0 0 0 0 23 26 2 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$