D0RG9A OpenBabel04242015273D 109112 0 0 1 0 0 0 0 0999 V2000 0.4502 0.0414 0.3979 Na 0 3 0 0 0 15 0 0 0 0 0 0 -5.5814 -4.2607 7.1275 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4405 -3.7030 4.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 -5.2926 8.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4748 -3.1073 3.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -8.1823 9.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 -5.2930 5.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0315 -9.5855 8.8401 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 0.7847 3.6762 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -8.2757 12.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5241 2.6069 3.8227 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.8657 1.5064 5.3065 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -4.7045 8.5765 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0773 -4.8069 4.9595 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7599 -4.8577 6.5490 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1149 -5.2457 9.5266 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2691 -6.0670 7.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1813 -4.1447 3.7460 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6015 -6.2277 7.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2507 -6.5888 10.3323 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7341 -5.9636 3.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6458 -5.4063 3.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 -6.4708 9.2340 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2333 -7.4904 9.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6574 -3.1755 8.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2553 -4.7194 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -6.9612 8.5382 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6071 -2.1665 3.8434 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6035 -4.5898 4.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7233 -2.9671 4.8847 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8250 -4.4446 4.5050 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1035 -7.1452 7.3439 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6178 -7.2088 10.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4658 -0.9471 4.4180 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5525 -6.9831 7.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4449 -2.3325 9.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 -7.3538 9.5090 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6171 -8.5137 9.6953 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2937 -2.5817 5.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6572 0.3477 4.8397 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1778 -6.3620 6.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3147 -1.3533 5.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4307 -6.1035 10.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 -9.1302 11.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4863 1.4709 5.5843 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7272 1.2044 7.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7453 1.8813 4.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 2.1314 3.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5506 -4.3170 7.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0187 -4.5569 10.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2032 -6.9955 8.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 -6.1145 7.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3953 -6.4526 7.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -7.0446 6.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8262 -6.3951 11.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6023 -6.2452 3.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4083 -6.8939 4.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0501 -5.2200 2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8443 -6.1510 2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7732 -6.1849 10.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8698 -8.2585 10.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -7.9991 8.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 -3.1637 7.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4156 -2.5255 8.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4502 -4.1589 5.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4411 -5.7674 5.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3509 -6.0747 8.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9263 -1.7576 3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8407 -3.5556 5.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0718 -4.7694 3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0801 -5.2621 5.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1851 -2.8142 5.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 -4.6614 3.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -8.1886 7.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2997 -7.3185 9.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 -8.2200 11.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1568 -6.6203 11.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1423 -0.6638 3.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2404 -7.6353 7.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9195 -5.9574 7.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6391 -2.6697 10.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1209 -1.3188 9.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3651 -2.1973 10.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6207 -7.7293 9.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2228 -1.5525 5.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9992 -3.1976 6.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -2.7773 4.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 0.0223 5.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4579 -6.8216 5.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 -5.3005 6.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -6.4230 5.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 -1.5103 6.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0650 -0.6168 5.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8871 -2.2408 5.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4789 -6.1943 5.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4518 -5.6343 10.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 -6.3562 11.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 -5.3278 10.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1514 -10.0349 11.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4425 -9.4384 11.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 2.3929 5.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 -9.9431 8.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 0.2584 7.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2245 1.9678 7.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7747 1.2371 7.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4758 -8.8523 12.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 2.3612 4.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 2.2596 2.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 2.8429 3.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 5 28 1 0 0 0 0 6 27 1 0 0 0 0 6 38 1 0 0 0 0 7 95 1 0 0 0 0 8102 1 0 0 0 0 9 48 1 0 0 0 0 10 44 1 0 0 0 0 10106 1 0 0 0 0 11 47 1 0 0 0 0 12 47 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 1 0 0 0 14 21 1 0 0 0 0 14 29 1 6 0 0 0 14 15 1 0 0 0 0 15 19 1 0 0 0 0 15 49 1 1 0 0 0 16 20 1 1 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 3 1 1 0 0 0 18 5 1 0 0 0 0 18 22 1 0 0 0 0 18 26 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 1 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 6 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 36 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 31 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 32 1 6 0 0 0 27 67 1 0 0 0 0 27 23 1 0 0 0 0 28 30 1 6 0 0 0 28 68 1 0 0 0 0 28 34 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 31 1 6 0 0 0 30 39 1 0 0 0 0 30 72 1 0 0 0 0 31 73 1 6 0 0 0 31 7 1 0 0 0 0 32 35 1 0 0 0 0 32 74 1 6 0 0 0 32 41 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 78 1 6 0 0 0 34 42 1 0 0 0 0 34 40 1 0 0 0 0 35 37 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 38 1 1 0 0 0 37 84 1 0 0 0 0 37 43 1 0 0 0 0 38 44 1 0 0 0 0 38 8 1 1 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 9 1 0 0 0 0 40 88 1 1 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 43 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 45 47 1 0 0 0 0 45101 1 6 0 0 0 45 46 1 0 0 0 0 45 40 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 46105 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 M CHG 2 1 1 11 -1 M END $$$$