RDKit 3D 55 57 0 0 0 0 0 0 0 0999 V2000 -9.4482 1.1663 -1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2326 1.0875 -2.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0555 0.7912 -1.5863 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4474 1.8525 -0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8344 3.0151 -1.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2679 1.4363 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6369 0.2061 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4538 0.4323 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4299 1.7901 1.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5304 2.3626 0.4345 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4607 2.6380 1.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4485 -0.5809 1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 -1.5002 0.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 -0.4392 2.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9933 -1.9956 2.9861 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 -1.7555 2.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6244 -1.5423 3.2629 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8323 -1.3714 2.6151 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7372 -1.4718 1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1138 -1.7657 0.7736 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -1.3577 0.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1033 -1.2046 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7434 -1.2066 1.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1269 -1.0409 1.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8926 -0.8558 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2831 -0.8333 -0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8964 -1.0029 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1220 -0.6407 -1.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7512 -0.5613 -2.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6171 -0.6552 -3.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9400 -0.3653 -3.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0851 -1.1097 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5710 0.2321 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3545 1.3466 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3428 1.9670 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3646 0.2664 -3.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1040 2.0031 -2.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7705 3.3491 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4447 2.4748 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6854 3.7036 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4929 2.4031 2.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 -0.1674 3.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 0.3518 2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4328 -1.4614 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1884 -1.3528 2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6043 -1.0622 2.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -0.7307 0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4015 -0.9839 -1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1093 -0.5458 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6009 0.0287 -4.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4388 -1.3272 -4.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6454 0.3514 -3.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8993 -1.1532 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1535 -1.2638 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5706 -1.9505 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 8 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 7 32 1 0 10 6 1 0 20 16 1 0 27 22 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 11 41 1 0 14 42 1 0 14 43 1 0 21 44 1 0 23 45 1 0 24 46 1 0 25 47 1 0 27 48 1 0 28 49 1 0 31 50 1 0 31 51 1 0 31 52 1 0 32 53 1 0 32 54 1 0 32 55 1 0 M END