B41UPW -OEChem-04022104502D 78 81 0 1 0 0 0 0 0999 V2000 3.3801 -4.6330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0822 4.5619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1519 -1.3303 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2958 -1.9236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5964 -2.9145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0580 -0.2929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9742 -1.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6316 -2.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3573 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9738 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1571 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9922 -3.7113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4739 -2.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 1.8978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1815 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0927 2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 1.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9346 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5789 3.6978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5372 3.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9644 3.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9529 2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7759 -5.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 -4.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 5.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0822 4.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -2.2372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 -0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5345 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -1.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5533 -3.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -3.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 -1.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1879 -2.0681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -0.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6206 -0.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0970 -0.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 0.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6073 -3.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 -1.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9644 -2.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -3.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -0.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4061 1.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7401 0.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 1.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3301 1.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1988 3.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0774 -2.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 -3.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9226 -4.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5444 3.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5536 2.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6433 4.3086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 3.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2682 2.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5049 3.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6607 3.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6367 1.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4862 1.9656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2691 2.8150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2819 -5.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 -5.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 -5.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 -5.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9874 -4.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4497 -4.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 5.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 5.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0474 5.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0798 3.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7022 4.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0846 5.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 21 2 1 6 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 1 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 6 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 1 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 32 1 6 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 15 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 17 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 15 2 0 0 0 0 12 20 1 0 0 0 0 13 22 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 1 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 21 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 52 1 0 0 0 0 21 24 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 67 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 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 29 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 M END $$$$