D0J4GG -OEChem-04152111032D 85 90 0 1 0 0 0 0 0999 V2000 12.1446 -0.7560 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.6085 -0.7159 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.1678 -2.7558 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9055 -1.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6777 -3.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6578 -1.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1327 0.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7252 0.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3076 -3.2658 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2156 -1.5960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3065 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4736 1.8086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4559 -3.1147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -4.3884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3894 -2.8697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7289 -3.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2389 -4.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2146 -4.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1702 -1.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9964 -0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4803 -2.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0418 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5257 -1.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0280 -2.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0164 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 -0.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8997 -2.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8766 -0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7599 -2.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6166 -1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7483 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8650 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8358 -2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -1.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1004 -3.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9266 -1.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1458 -2.7350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7136 1.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6076 2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4105 -3.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6076 3.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8076 2.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4736 3.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7136 3.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8076 3.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3396 2.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3396 3.3086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4736 4.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2057 1.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8667 -2.4740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3087 -3.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2316 -3.9907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6754 -4.7394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4373 -5.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2865 -4.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8345 -4.2543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6157 -0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0756 -0.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1955 -2.8244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9732 -2.6497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3266 0.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 0.0537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9064 -2.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4465 -2.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9069 -3.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3004 -2.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6462 0.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2557 0.1493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4276 -2.5401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 -0.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2363 -3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 -1.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2718 1.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7208 4.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2718 3.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8766 3.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0936 4.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4736 5.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8536 4.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -2.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 -4.8086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8957 1.2716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7426 1.4986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5157 2.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 31 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 3 24 1 0 0 0 0 4 19 2 0 0 0 0 7 26 2 0 0 0 0 8 32 1 0 0 0 0 8 38 1 0 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 26 1 0 0 0 0 12 39 1 0 0 0 0 12 46 2 0 0 0 0 13 40 1 0 0 0 0 13 80 1 0 0 0 0 13 81 1 0 0 0 0 14 40 2 0 0 0 0 14 82 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 1 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 20 22 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 65 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 29 66 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 35 1 0 0 0 0 33 69 1 0 0 0 0 34 36 2 0 0 0 0 34 70 1 0 0 0 0 35 37 2 0 0 0 0 35 71 1 0 0 0 0 36 37 1 0 0 0 0 36 72 1 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 42 2 0 0 0 0 39 41 2 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 42 45 1 0 0 0 0 42 73 1 0 0 0 0 43 47 2 0 0 0 0 43 48 1 0 0 0 0 44 45 2 0 0 0 0 44 74 1 0 0 0 0 45 75 1 0 0 0 0 46 47 1 0 0 0 0 46 49 1 0 0 0 0 47 76 1 0 0 0 0 48 77 1 0 0 0 0 48 78 1 0 0 0 0 48 79 1 0 0 0 0 49 83 1 0 0 0 0 49 84 1 0 0 0 0 49 85 1 0 0 0 0 M END $$$$