B9MC2I -OEChem-04012112583D 39 40 0 0 0 0 0 0 0999 V2000 0.5599 -1.1080 0.6574 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8678 0.1657 -0.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0356 0.2644 -1.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7646 -1.4690 0.3757 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9434 1.4841 1.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3987 2.7225 1.5878 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 -1.1981 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7567 -1.9543 1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 -0.8253 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3046 -2.2983 0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5224 -0.4315 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5614 -0.0753 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9671 -0.5326 -0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 0.9303 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 0.6259 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5501 -1.7821 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0459 0.5310 -0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9089 -1.8769 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3733 1.4812 -0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6567 -0.7203 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 2.7413 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 3.3256 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4003 -1.8133 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8684 -0.2833 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 -2.8748 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7918 -1.3266 2.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 -1.7376 0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 -0.1915 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8726 -2.8486 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 -2.9309 -0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2604 1.6213 -0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 -2.6958 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6291 1.4311 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -2.8512 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3719 0.9774 -1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7148 -0.7942 -0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3193 0.6425 -1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6278 3.2530 -1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 4.3102 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 37 1 0 0 0 0 3 12 2 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$