B1UB3L -OEChem-04012115522D 39 41 0 0 0 0 0 0 0999 V2000 3.4030 -0.7095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -1.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -2.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5256 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1934 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8363 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1719 0.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1684 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1899 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6671 0.3368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4247 0.0892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4429 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2726 1.8190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2998 0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7786 0.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0441 1.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3610 3.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7758 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 37 1 0 0 0 0 3 39 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 15 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 22 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$