B9FT3D -OEChem-04022109422D 76 80 0 1 0 0 0 0 0999 V2000 15.8907 -3.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8421 -1.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1453 3.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3814 5.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2270 -2.5202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1434 -4.1910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5634 -0.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.3862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.8862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.8862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.8862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -6.3862 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7270 -3.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7270 -3.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4295 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2215 -2.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8203 -1.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1434 -2.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4589 0.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4541 -5.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.3862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -2.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5454 0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2679 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4408 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1634 1.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2498 2.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9543 3.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8498 4.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8679 3.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6588 5.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6769 3.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5724 4.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2769 6.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6194 -3.9968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3096 -3.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0191 -1.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6816 -0.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 -1.9922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8647 -5.3341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6467 -5.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0434 -4.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -3.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -3.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -4.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -4.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -3.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -3.4113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0438 0.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8343 0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -4.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -4.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8744 1.7104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6650 2.0037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2834 4.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9327 2.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5940 5.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2433 3.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8935 6.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2120 7.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6602 6.3214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 36 1 0 0 0 0 3 38 1 0 0 0 0 4 32 2 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 23 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 9 19 2 0 0 0 0 9 29 1 0 0 0 0 26 10 1 6 0 0 0 10 32 1 0 0 0 0 10 63 1 0 0 0 0 11 27 1 0 0 0 0 11 29 2 0 0 0 0 12 33 1 0 0 0 0 12 68 1 0 0 0 0 12 69 1 0 0 0 0 13 37 3 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 20 2 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 27 2 0 0 0 0 22 30 2 0 0 0 0 22 31 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 37 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 33 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 32 1 0 0 0 0 30 34 1 0 0 0 0 30 61 1 0 0 0 0 31 35 2 0 0 0 0 31 62 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 36 2 0 0 0 0 34 66 1 0 0 0 0 35 36 1 0 0 0 0 35 67 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 70 1 0 0 0 0 40 42 2 0 0 0 0 40 71 1 0 0 0 0 41 43 2 0 0 0 0 41 72 1 0 0 0 0 42 43 1 0 0 0 0 42 73 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 M END $$$$