BKEC45 -OEChem-04012112322D 48 50 0 1 0 0 0 0 0999 V2000 4.2690 -0.2278 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.7722 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4813 -0.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7146 -3.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4581 -2.3023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.2514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 0.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 1.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0174 -0.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 2.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8776 -0.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7493 -0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6095 -0.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7262 -2.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5980 -1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3414 -0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8429 -3.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4466 -3.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5629 0.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 -0.1477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7986 -0.8425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 3.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 3.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 2.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 2.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 0.9393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 -2.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7565 0.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0253 -1.3458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8748 -1.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6576 -0.2791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5391 -3.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3024 -4.0760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1467 -4.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8266 -3.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4394 -3.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0665 -3.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 38 1 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 6 23 1 0 0 0 0 6 26 1 0 0 0 0 7 24 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 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 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 20 23 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$