D0L9XF -OEChem-04152111182D 72 76 0 0 0 0 0 0 0999 V2000 5.4836 -0.2347 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1654 2.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6941 -2.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7692 2.1376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1417 -1.1461 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4506 0.8633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1105 -3.2419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6527 -1.8439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3997 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8024 0.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8080 0.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0086 -0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0988 1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1105 -1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 -1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1210 1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4212 -0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1643 -2.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4728 1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7470 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4618 3.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6941 -2.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3095 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9214 -1.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4323 -1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -3.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4323 -2.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4174 2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1322 3.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5662 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4617 -0.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -1.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -0.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -2.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8655 0.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6240 1.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3542 2.1797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5958 1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0758 -1.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0071 -0.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5137 1.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2722 1.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0809 3.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9139 2.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6411 0.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8470 1.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0005 1.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7721 0.9950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -0.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3031 -3.8312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6683 -1.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4874 -1.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1746 -0.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -4.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8953 -3.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8774 2.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8330 3.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9574 3.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5923 3.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5479 4.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6722 4.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 -0.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 0.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -2.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 0.0008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -2.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -1.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 19 2 0 0 0 0 3 22 2 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 44 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 50 1 0 0 0 0 7 18 1 0 0 0 0 7 22 1 0 0 0 0 7 55 1 0 0 0 0 8 31 1 0 0 0 0 8 33 2 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 18 2 0 0 0 0 15 24 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 45 1 0 0 0 0 18 27 1 0 0 0 0 20 29 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 30 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 54 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 32 2 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 68 1 0 0 0 0 36 38 2 0 0 0 0 36 69 1 0 0 0 0 37 39 2 0 0 0 0 37 70 1 0 0 0 0 38 39 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 M END $$$$