BM2E4X -OEChem-04012114372D 29 30 0 0 0 0 0 0 0999 V2000 4.2111 1.4081 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1610 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 1.0991 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -0.8030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3922 3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 2.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5202 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8451 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7989 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8451 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5772 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 2.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1098 0.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 -1.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1141 -1.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 -2.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1141 -2.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 -3.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0456 1.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8828 2.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7456 3.4232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8796 3.2861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 4 12 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 16 18 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$