BTO4N9 -OEChem-04022105412D 72 76 0 1 0 0 0 0 0999 V2000 5.9608 -7.7276 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.4249 -4.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8724 0.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6929 -8.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 8.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0589 -1.6887 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2901 0.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1145 2.4609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6929 -4.7276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5589 -3.2276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7499 -2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3679 -2.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0589 -1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4711 -0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5589 -4.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8778 0.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6968 1.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2956 0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 2.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7078 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 3.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6929 -5.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9334 4.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 3.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 4.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9444 3.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 4.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -6.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5589 -6.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 5.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -7.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5589 -7.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6929 -7.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 5.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 6.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 6.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 7.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 9.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0065 -3.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1835 -2.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 -3.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 -3.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9343 -2.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6654 -1.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9941 -1.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9571 -0.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0404 -1.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2108 1.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1275 2.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 0.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4664 0.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6663 2.8372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9381 3.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1938 1.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2771 1.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1559 -4.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 4.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 2.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5978 5.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3278 3.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2899 -5.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0958 -5.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0958 -7.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 5.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 6.6753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 6.3366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 7.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2298 -9.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 8.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 9.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8403 9.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 33 1 0 0 0 0 4 69 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 1 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 25 1 0 0 0 0 23 58 1 0 0 0 0 24 26 2 0 0 0 0 24 59 1 0 0 0 0 25 27 2 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 62 1 0 0 0 0 29 32 2 0 0 0 0 29 63 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 34 36 1 0 0 0 0 34 65 1 0 0 0 0 35 37 2 0 0 0 0 35 66 1 0 0 0 0 36 38 2 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 37 68 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 M END $$$$