BD4PK3 -OEChem-04022102493D 40 42 0 0 0 0 0 0 0999 V2000 -1.0069 -0.5725 0.6212 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 2.5274 -1.5484 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 0.9629 -0.3512 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 -0.8342 0.9834 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2396 -1.0918 0.6462 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6567 -0.8287 -0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9289 -0.3700 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0722 -1.8238 -1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6757 -0.1558 0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 0.7496 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 1.5368 -0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9498 -0.3573 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 0.5601 1.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 1.5181 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -3.2401 -0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7814 1.0512 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5154 0.5729 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7877 1.0317 1.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9757 0.3108 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4644 -0.7492 -0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6177 0.6703 0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5891 -1.4122 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7355 -0.0563 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0498 -1.5451 -1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 -1.8202 -2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5309 -0.7058 -1.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9385 0.9201 2.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5894 2.0291 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9238 2.3976 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6922 0.9349 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 1.9120 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4794 -3.3223 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6815 -3.9427 -1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1044 -3.5563 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5224 0.9398 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 1.7553 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9905 -1.0581 -1.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2658 1.4917 1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0099 -2.2457 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2723 0.1840 2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 9 2 0 0 0 0 5 22 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 13 18 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$