B4ST1L -OEChem-04022102492D 81 80 0 1 0 0 0 0 0999 V2000 6.8671 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 -3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 3.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 2.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 3.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 2.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 2.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 3.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -5.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 -4.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -4.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -5.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 27 2 0 0 0 0 3 29 2 0 0 0 0 4 31 2 0 0 0 0 5 37 1 0 0 0 0 5 78 1 0 0 0 0 6 37 2 0 0 0 0 7 38 2 0 0 0 0 8 39 1 0 0 0 0 8 81 1 0 0 0 0 9 39 2 0 0 0 0 16 10 1 6 0 0 0 10 27 1 0 0 0 0 10 43 1 0 0 0 0 11 19 1 0 0 0 0 20 11 1 1 0 0 0 11 56 1 0 0 0 0 24 12 1 1 0 0 0 12 31 1 0 0 0 0 12 60 1 0 0 0 0 28 13 1 1 0 0 0 13 29 1 0 0 0 0 13 61 1 0 0 0 0 18 14 1 1 0 0 0 14 76 1 0 0 0 0 14 77 1 0 0 0 0 15 38 1 0 0 0 0 15 79 1 0 0 0 0 15 80 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 27 1 0 0 0 0 18 42 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 20 44 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 48 1 0 0 0 0 24 37 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 28 31 1 0 0 0 0 28 36 1 0 0 0 0 28 57 1 0 0 0 0 30 38 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 39 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 M END $$$$