B4OHQ3 -OEChem-04012115413D 43 45 0 0 0 0 0 0 0999 V2000 -1.9162 0.2809 -0.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7472 -0.4851 2.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9681 -2.0019 -0.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0327 0.4270 0.2536 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1075 -1.6326 -0.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7075 -0.0774 -0.2303 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 -0.7624 -0.2626 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 0.2614 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0469 -0.4714 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5022 -0.4157 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7363 -1.8021 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2588 1.6479 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4962 0.2279 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6971 0.2934 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8721 -0.5788 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1332 0.0295 -0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3239 -1.8718 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3289 -0.5355 0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4537 2.3570 0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6729 1.6798 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4677 1.5566 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 1.3582 -0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7746 -0.3755 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2718 2.1217 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8895 -0.7835 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4432 -0.0357 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9687 -0.4119 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5319 -1.4963 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4275 -2.6303 -0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3295 2.2110 0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 -1.5692 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 -2.7583 -0.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4347 3.4366 0.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5788 2.2712 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3691 2.1635 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2013 1.8271 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 -1.3728 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6387 0.2340 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2513 3.1545 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 1.0606 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6539 0.9248 -0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5887 -0.8904 2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8850 -0.0582 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 23 1 0 0 0 0 2 42 1 0 0 0 0 3 25 2 0 0 0 0 4 27 1 0 0 0 0 4 43 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 41 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 19 2 0 0 0 0 12 30 1 0 0 0 0 13 18 2 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 20 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 16 25 1 0 0 0 0 17 32 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 24 2 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$