DU3GQ9 -OEChem-06062108552D 71 75 0 1 0 0 0 0 0999 V2000 10.5194 -2.1622 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 1.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.1087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 1.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 1.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 -0.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -2.1192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1716 1.9629 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3389 0.9613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.4429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.5846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 0.4154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.5846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -1.1192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 0.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0709 0.9680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9860 0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6523 1.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1490 2.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2068 0.4646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4259 2.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -1.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.5595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.5595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -1.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2892 -1.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -1.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6693 1.8904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -2.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -3.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -2.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2334 2.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5496 1.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6781 0.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4890 0.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0689 0.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1525 1.6768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7144 2.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9551 2.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3365 1.5813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5334 -0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8390 3.0915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9635 3.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0128 2.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 15 2 1 6 0 0 0 2 48 1 0 0 0 0 3 20 2 0 0 0 0 4 22 1 0 0 0 0 4 55 1 0 0 0 0 5 25 1 0 0 0 0 5 56 1 0 0 0 0 6 23 2 0 0 0 0 7 31 1 0 0 0 0 7 68 1 0 0 0 0 8 32 2 0 0 0 0 9 39 2 0 0 0 0 18 10 1 6 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 35 1 0 0 0 0 11 38 1 0 0 0 0 11 40 1 0 0 0 0 12 33 1 0 0 0 0 12 39 1 0 0 0 0 12 65 1 0 0 0 0 13 32 1 0 0 0 0 13 66 1 0 0 0 0 13 67 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 6 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 6 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 24 32 1 0 0 0 0 25 27 1 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 31 2 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 34 57 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 1 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 M END $$$$