BJ0TN4 -OEChem-04022112093D 39 39 0 0 0 0 0 0 0999 V2000 2.7821 -0.0598 -1.5121 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 3.8569 0.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6195 2.4896 0.4395 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2308 -0.6395 1.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4949 -2.4099 -0.1853 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5297 -1.4693 -1.4646 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4898 -2.8488 0.3567 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5526 -2.0940 2.2249 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 0.4452 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 -0.3141 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4629 1.8201 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 -0.2356 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9065 0.4583 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7461 2.5141 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 1.8332 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1808 -1.1112 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 -0.3918 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 -0.2516 -0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6802 -1.2566 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3502 -1.2592 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0596 4.4900 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9738 -1.8481 -0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0566 -1.7180 1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 -0.0164 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5739 -1.3871 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 -1.3056 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8993 2.3211 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 -2.0408 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6865 -1.3975 -1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 0.5052 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -0.0990 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 0.1092 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 3.4297 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9018 5.5541 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7373 4.1152 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4929 4.4219 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9874 -1.2197 1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0498 -3.1790 1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3602 -3.3050 0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 14 1 0 0 0 0 2 21 1 0 0 0 0 3 11 1 0 0 0 0 3 33 1 0 0 0 0 4 20 1 0 0 0 0 4 37 1 0 0 0 0 5 20 2 0 0 0 0 6 22 2 0 0 0 0 7 22 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 23 3 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$