B01SUR -OEChem-04022104553D 32 32 0 0 0 0 0 0 0999 V2000 -2.3592 0.4303 -0.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6899 -1.1593 0.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5035 2.5674 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -3.3454 -1.1015 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0534 1.9859 1.1036 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3979 -3.3486 1.0938 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0563 1.9878 -1.0917 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -2.7418 -0.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5550 1.6447 0.0051 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6845 -0.2043 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1237 0.3030 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6843 0.9443 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 0.6927 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1194 -0.8450 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 1.4632 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0557 -0.6995 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 -1.3212 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 0.8416 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3592 1.3547 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4671 -0.5506 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5058 -0.8416 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -0.8403 0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3066 0.9063 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2894 0.9525 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 1.5643 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 1.5654 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9849 -1.4477 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0017 -1.4988 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1435 -0.4588 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0715 2.5495 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -1.3257 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -0.5032 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 2 32 1 0 0 0 0 3 19 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 M CHG 4 4 -1 5 -1 8 1 9 1 M END $$$$