DR2125 -OEChem-05042002553D 28 27 0 1 0 0 0 0 0999 V2000 3.6845 0.7989 -0.8610 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 1.1138 1.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5838 0.9723 -1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3072 -1.8218 -0.3665 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 -0.5698 0.3199 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 -1.5825 0.2155 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1635 -0.6432 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4088 0.5413 0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6185 -0.7228 0.3055 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0307 0.6377 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 0.5306 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 -0.6015 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 1.3469 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6516 -1.5823 0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1389 -0.5403 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 1.4819 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 0.4378 1.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6365 -0.8927 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9922 0.7685 -1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4539 1.5318 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2391 -1.9370 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8139 -2.6958 -0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4508 1.9173 0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 -1.4908 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 -2.4423 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 0.6123 0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5552 1.5035 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3916 2.2924 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 23 1 0 0 0 0 3 11 2 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 M END $$$$