B13IXO -OEChem-04022115313D 54 58 0 0 0 0 0 0 0999 V2000 2.0680 -0.4411 0.5834 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 2.5924 0.1423 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5090 -0.8488 -0.2979 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 -2.4498 0.6559 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 1.8177 -0.5479 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5955 -1.4652 0.3429 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7184 -4.6943 -1.0644 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2698 -1.2633 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0801 -0.4453 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4941 -1.8428 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6313 -2.9353 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 -0.1227 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 -0.9309 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 1.1388 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 0.8062 -0.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0549 1.6056 -0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 1.0843 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 1.4726 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6374 0.8469 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2431 2.4741 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4539 2.2238 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 1.2225 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5857 2.8497 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6284 -0.4400 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5451 -2.6235 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7139 1.5866 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5636 -0.5299 -0.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7361 0.6635 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6063 0.4833 -0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7789 1.6767 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7498 -3.5119 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2426 -1.4618 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9943 -2.2009 -0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6910 -3.8666 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9556 -3.1437 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7521 0.0275 -0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7382 -1.9053 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1342 1.2097 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 2.5819 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 0.0845 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 2.9744 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6277 0.7390 1.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 3.6300 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5581 -2.3299 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6255 -3.1916 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3491 -1.3590 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4433 -1.3689 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5609 0.7455 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7991 0.3987 -1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8670 2.5338 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7523 -3.8256 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6807 -2.9605 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5550 -5.2524 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7514 -4.4138 -2.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 26 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 36 1 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 5 14 1 0 0 0 0 5 17 2 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 46 1 0 0 0 0 7 31 1 0 0 0 0 7 53 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 31 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$