B3V4RT -OEChem-04022106243D 45 48 0 0 0 0 0 0 0999 V2000 -1.7122 3.5593 -0.0911 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -0.1179 -2.2481 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4367 -0.4278 2.0654 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7381 -1.4359 1.9621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2003 1.6833 -0.0518 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6204 0.6225 -0.2151 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 2.8470 0.1034 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 3.7301 0.1147 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8933 0.8038 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5677 1.6343 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5215 2.0763 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3326 0.4119 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8018 -0.3567 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 3.0153 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -0.4250 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1716 0.0722 0.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5327 -0.9208 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9138 -0.8767 -1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9194 -1.1042 0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9891 -1.6015 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -1.9410 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3759 -2.0049 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7570 -1.9609 -1.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 -2.5250 -0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 -1.0375 -3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2207 -1.0674 3.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 -2.6528 1.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5841 2.1170 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 2.0633 1.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 0.7163 1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 -0.4453 -2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9713 -2.3010 -2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 -2.8686 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9741 -2.4951 1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8445 -2.3656 -2.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1442 -3.3691 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7102 -0.6359 -4.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0142 -2.0142 -3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3837 -1.1106 -3.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0215 -0.5470 4.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 -2.1106 3.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2932 -0.9647 2.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0712 -2.7588 2.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 -2.6191 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 -3.5219 1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 22 34 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$