B2EL4U -OEChem-04022107022D 49 53 0 0 0 0 0 0 0999 V2000 8.1028 -0.8693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0432 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4641 2.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4225 -0.3123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 -2.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8036 -2.0716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0432 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8134 -4.0432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7736 -0.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 -2.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 -1.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 -2.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -1.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7748 -1.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7521 -1.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4241 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0575 -0.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4014 -1.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0348 -0.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7068 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1187 -3.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.9356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5889 0.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 -2.8678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4648 -0.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 -2.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2502 -1.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0092 -2.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6408 0.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8181 -2.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2241 0.3561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3127 -0.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 26 1 0 0 0 0 2 8 1 0 0 0 0 3 8 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 13 1 0 0 0 0 5 22 2 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 22 1 0 0 0 0 8 18 1 0 0 0 0 9 33 3 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 15 18 1 0 0 0 0 15 21 2 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 33 1 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 30 32 1 0 0 0 0 30 47 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 M CHG 2 2 -1 8 1 M END $$$$