B3VX4I -OEChem-04012113483D 31 33 0 0 0 0 0 0 0999 V2000 -0.6727 0.7333 -0.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -1.7642 0.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4651 -2.9124 0.2466 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8568 2.9667 -0.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -0.5123 -0.5110 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1649 1.4510 0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 0.3821 -0.0300 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7186 -0.5716 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 0.6423 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0672 -0.4341 0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5284 -0.2225 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9371 -1.8128 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4679 -1.6614 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1149 -0.6043 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 1.8338 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 1.8055 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8301 0.5891 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 -1.2020 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0738 0.9585 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7521 -1.0019 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 1.1586 0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2934 0.1785 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -2.5712 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 2.7827 -0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9174 0.5657 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -2.1249 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4436 1.7353 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3752 -1.7849 -0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8407 2.0895 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2228 -2.5229 0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8076 2.7624 -0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 14 1 0 0 0 0 2 30 1 0 0 0 0 3 12 2 0 0 0 0 4 16 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 13 23 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 19 21 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 M CHG 2 5 -1 7 1 M END $$$$