BE3DT5 -OEChem-04022117353D 40 44 0 0 0 0 0 0 0999 V2000 -4.9132 2.4172 -0.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 0.2720 -0.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -1.8251 1.8462 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7801 0.1338 0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0109 -0.0012 -0.4164 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -0.3820 0.2301 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 -1.1765 1.3742 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3001 -0.9036 1.1868 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -1.6964 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4628 -0.7228 0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6155 -1.2861 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1406 0.9076 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8673 0.6020 0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9539 -3.0463 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1144 -1.0371 0.9003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 -2.2538 -0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 2.2547 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 -3.9929 -0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -3.5958 -1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1229 3.4583 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3179 -0.4687 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1357 4.4222 0.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3582 -0.0543 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2043 3.7389 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5727 0.4737 -0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7284 1.3636 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 1.5845 -1.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7170 0.8141 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 1.3628 0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9698 -3.3931 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4760 -1.9682 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5411 -5.0345 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7993 -4.3276 -1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 0.2425 -0.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 3.6344 0.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 5.4822 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1907 4.0322 -0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9444 1.8045 -1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6271 2.2251 -2.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7418 0.6483 -0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 25 1 0 0 0 0 4 28 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 21 2 0 0 0 0 8 23 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 27 28 2 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$