B5XRT1 -OEChem-04022103493D 48 51 0 0 0 0 0 0 0999 V2000 -3.4044 -1.3731 2.1382 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3506 2.9038 1.1967 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0302 -0.9522 0.2027 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4510 -1.6017 -1.8127 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2573 -1.7267 0.7393 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2062 1.1792 0.4405 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 1.3785 -0.4897 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 0.7339 0.8509 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1661 -1.1106 -0.6936 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9090 -1.1042 -0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2249 0.0849 -0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1412 0.1536 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 -0.9740 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0404 -1.4989 -1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 0.9227 -1.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6466 -2.9943 1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4841 -0.6520 -2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8215 0.5407 -2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 0.4338 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2571 1.2576 0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1913 0.0398 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0589 1.7668 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -0.1376 1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 0.2876 1.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 1.7176 0.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1685 0.2067 1.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5313 -0.5085 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 2.8128 -1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8256 -0.7223 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4857 -0.1742 0.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8484 -0.8895 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5612 -2.4260 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 1.8555 -1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6096 -3.7567 0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 -3.2693 2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6621 -2.8933 1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3601 -0.9293 -2.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1855 1.1830 -3.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5339 -0.8980 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -0.6893 2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2148 -0.1431 2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 0.6372 2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7823 -0.6499 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2443 3.0067 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 2.4898 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 3.7557 -0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2207 -0.0284 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0766 -1.3139 -2.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 40 1 0 0 0 0 2 25 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 19 2 0 0 0 0 7 22 1 0 0 0 0 8 25 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 41 1 0 0 0 0 26 30 1 0 0 0 0 26 42 1 0 0 0 0 27 31 2 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$