D00TLP -OEChem-10121501302D 99105 0 1 0 0 0 0 0999 V2000 5.8836 3.8969 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7553 1.2222 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3489 1.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 -1.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8233 4.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 3.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1862 -4.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2257 2.9572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1620 -1.4233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1566 0.4132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 2.5175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7318 1.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5829 2.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 3.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5416 4.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 2.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0671 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7756 5.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 5.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6733 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -0.5573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 4.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 -1.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6620 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6620 -0.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6620 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6620 -0.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1274 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1967 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6412 -4.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6828 -4.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1620 0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1966 -3.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3645 1.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4984 1.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2780 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6895 -5.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0870 1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3825 2.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 2.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 1.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 0.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1071 1.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0338 4.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7771 0.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6036 0.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4326 0.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3353 5.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 6.0163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3006 5.0809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6076 6.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 3.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 -0.5203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6742 -1.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3246 -1.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 4.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 3.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.9349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 1.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.4349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 1.9099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 2.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -0.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3520 -0.0204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5074 -3.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -4.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2038 -3.7917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8166 -3.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1895 -2.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4336 2.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2132 1.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1514 -5.5135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3816 -6.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2276 -6.1293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9991 2.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4473 3.4092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7659 2.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7226 0.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5886 0.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4515 1.7119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 11 1 0 0 0 0 1 21 1 0 0 0 0 2 45 1 0 0 0 0 2 48 1 0 0 0 0 3 18 2 0 0 0 0 28 4 1 1 0 0 0 4 35 1 0 0 0 0 5 23 2 0 0 0 0 8 30 2 0 0 0 0 9 44 1 0 0 0 0 9 50 1 0 0 0 0 10 15 1 0 0 0 0 10 23 1 0 0 0 0 10 56 1 0 0 0 0 11 18 1 0 0 0 0 11 67 1 0 0 0 0 12 30 1 0 0 0 0 12 33 1 0 0 0 0 12 36 1 0 0 0 0 13 39 1 0 0 0 0 13 40 2 0 0 0 0 14 45 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 53 1 6 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 57 1 1 0 0 0 20 29 2 0 0 0 0 20 58 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 59 1 0 0 0 0 22 27 1 0 0 0 0 22 30 1 0 0 0 0 22 60 1 6 0 0 0 24 28 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 63 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 29 31 1 0 0 0 0 29 71 1 0 0 0 0 31 32 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 34 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 33 34 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 35 37 1 0 0 0 0 35 38 2 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 39 2 0 0 0 0 37 41 1 0 0 0 0 38 40 1 0 0 0 0 38 83 1 0 0 0 0 39 42 1 0 0 0 0 40 45 1 0 0 0 0 41 43 2 0 0 0 0 41 84 1 0 0 0 0 42 44 2 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 43 85 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 48 89 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 49 90 1 0 0 0 0 50 91 1 0 0 0 0 50 92 1 0 0 0 0 50 93 1 0 0 0 0 51 97 1 0 0 0 0 51 98 1 0 0 0 0 51 99 1 0 0 0 0 52 94 1 0 0 0 0 52 95 1 0 0 0 0 52 96 1 0 0 0 0 M END $$$$