BMC94I -OEChem-04012115302D 46 50 0 1 0 0 0 0 0999 V2000 4.9548 -4.0366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7794 -3.2905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7336 -0.9367 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0796 -1.5626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2794 -1.7516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9704 -2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2099 -2.5347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2794 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0498 -3.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5884 -2.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 -0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4025 0.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 -3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8723 -4.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5464 -3.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0355 0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4156 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8206 -4.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6947 1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6633 -4.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6816 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 1.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 2.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3539 3.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 4.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 4.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 -2.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -0.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 -2.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8555 -3.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -3.6017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 -4.6866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0438 -2.7414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6474 0.7567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 -0.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8830 -5.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2306 -4.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 2.2719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4498 1.2789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 3.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9614 2.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0124 5.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 4.0847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 5.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 6 0 0 0 7 29 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 15 35 1 0 0 0 0 16 21 1 0 0 0 0 16 36 1 0 0 0 0 17 22 2 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$