B3MTA2 -OEChem-04022101212D 47 50 0 1 0 0 0 0 0999 V2000 10.4652 -1.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1973 0.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4652 1.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7168 -2.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0787 2.9391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 -0.0883 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.4652 0.4117 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.5992 -0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5992 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8312 -1.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7992 -0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7052 0.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9351 0.4358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7052 -1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7992 -1.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9389 1.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0748 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 0.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2069 1.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8682 -0.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9283 0.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 -1.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9512 -1.0883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3312 -0.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2943 -2.2644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1412 -2.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3682 -1.6444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7124 1.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4732 0.7437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2634 -1.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5491 1.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 2.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1973 1.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 1.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1835 -2.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 -0.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 2.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 1.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 41 1 0 0 0 0 3 10 1 0 0 0 0 3 42 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 5 18 1 0 0 0 0 5 43 1 0 0 0 0 6 21 2 0 0 0 0 7 26 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 18 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 17 15 1 1 0 0 0 15 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 19 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$