B9WUT5 -OEChem-04012119562D 100104 0 0 0 0 0 0 0999 V2000 3.9134 3.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 -1.0644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5136 3.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 -1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5922 -5.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1395 4.9148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4527 -2.7816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3741 6.7626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 -4.6294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 -6.3466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 11.1209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3166 12.7340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9396 -10.4439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7136 -12.1612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3138 -11.4983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2961 2.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 -0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 2.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 1.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 0.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2961 -0.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 1.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 0.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 5.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 5.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5222 3.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 6.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 5.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -1.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8439 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4441 -2.9122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2266 -4.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -3.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9914 7.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 8.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 -5.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2175 9.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8263 10.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3747 -7.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7659 -8.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 11.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9661 11.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1486 -8.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 -7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3928 12.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 -9.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1657 -8.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5484 -9.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3223 -11.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 2.7892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -0.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 2.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 2.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 2.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 1.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3132 0.0297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 0.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 -0.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4566 -0.7394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6021 1.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3132 2.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 0.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 0.0297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1671 5.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2712 6.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 4.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1751 4.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9709 6.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3385 7.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 6.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 5.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 -3.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -3.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 -2.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4171 -2.2928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 -4.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -5.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2457 -4.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3497 -3.5029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0191 8.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1231 8.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 9.8608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 9.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 9.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 10.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 -6.2657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 -7.7276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8976 -6.9374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9998 10.9517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5842 12.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7633 -9.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5372 -7.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 12.6752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7771 -10.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -8.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 -12.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 -12.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 -12.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6912 -11.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 27 1 0 0 0 0 2 18 1 0 0 0 0 2 30 1 0 0 0 0 3 27 2 0 0 0 0 4 30 2 0 0 0 0 5 35 2 0 0 0 0 6 37 2 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 35 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 37 1 0 0 0 0 11 37 1 0 0 0 0 11 40 1 0 0 0 0 11 87 1 0 0 0 0 12 39 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 43 2 0 0 0 0 13 46 1 0 0 0 0 14 49 1 0 0 0 0 14 50 2 0 0 0 0 15 50 1 0 0 0 0 15 97 1 0 0 0 0 15 98 1 0 0 0 0 16 50 1 0 0 0 0 16 99 1 0 0 0 0 16100 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 51 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 52 1 0 0 0 0 19 23 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 24 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 28 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 29 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 31 33 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 34 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 35 36 1 0 0 0 0 36 38 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 38 39 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 40 41 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 41 44 2 0 0 0 0 41 45 1 0 0 0 0 42 46 2 0 0 0 0 42 90 1 0 0 0 0 43 91 1 0 0 0 0 44 47 1 0 0 0 0 44 92 1 0 0 0 0 45 48 2 0 0 0 0 45 93 1 0 0 0 0 46 94 1 0 0 0 0 47 49 2 0 0 0 0 47 95 1 0 0 0 0 48 49 1 0 0 0 0 48 96 1 0 0 0 0 M END $$$$