BXIR36 -OEChem-04012113083D 32 32 0 1 0 0 0 0 0999 V2000 -4.6527 0.7692 0.5516 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8197 1.5418 0.9954 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0005 -2.2878 0.4186 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7342 -0.5126 0.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9262 -1.3028 -1.0939 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5609 -0.6070 0.8456 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 -0.1230 -0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 0.0269 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 0.1126 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3571 -0.2125 -0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7252 0.0323 -0.5283 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6770 -0.0397 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4774 1.0143 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -1.1364 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8669 0.3104 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2753 2.4143 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2118 -1.1285 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 0.5864 -1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2432 -0.6843 0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 1.0331 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3305 -0.6048 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 1.1033 0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 0.4832 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 -1.2187 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 0.7647 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 -2.0027 -0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -1.3602 -1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3056 -1.0579 1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2889 3.0981 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0748 2.7063 -1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 2.5445 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5596 1.6838 1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 2 32 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 11 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 14 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 M END $$$$