B1XVY8 -OEChem-04042103043D 45 48 0 1 0 0 0 0 0999 V2000 0.8576 1.5634 1.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 4.3491 0.5143 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 2.7323 -0.7181 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.0006 0.5446 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 1.4013 -0.1041 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.8150 0.6136 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6295 -0.9757 -0.3284 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8868 -3.3713 -0.7176 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9297 -4.5337 -0.2686 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -1.0901 0.8382 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4605 3.3753 -0.4101 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2892 2.6501 0.2400 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4728 2.2598 -0.5787 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2612 1.4455 0.6934 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6850 2.0622 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9046 -1.0290 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 -0.5210 0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7237 -2.1456 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7338 0.8488 -1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1711 -3.3506 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8991 0.1701 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 -2.1999 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7408 -1.0885 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 0.7993 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8439 -1.6704 0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1785 0.1330 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 3.8895 -1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 3.3005 0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.6596 -1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 1.8256 1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 1.3480 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0669 2.8739 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 5.0252 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8158 3.3260 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4349 0.6562 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7103 0.0875 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1082 1.6439 -1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 0.1195 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 -2.2534 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 -1.6076 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2981 1.7812 -0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 -4.5210 0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 -5.3968 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7727 -2.6506 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1645 0.5808 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 33 1 0 0 0 0 3 13 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 15 1 0 0 0 0 5 19 1 0 0 0 0 5 35 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 16 2 0 0 0 0 7 22 1 0 0 0 0 8 20 1 0 0 0 0 8 22 2 0 0 0 0 9 20 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 25 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$