BA4H6I -OEChem-04022112243D 80 86 0 1 0 0 0 0 0999 V2000 1.5651 0.9911 0.3361 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 3.5621 0.9417 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 -0.2294 1.1628 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1301 0.6938 0.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9251 -1.6418 0.9386 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0095 3.3470 -0.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2081 -4.2427 -0.5569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6252 -4.2268 -2.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7105 -1.7314 2.4353 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8090 1.0774 -0.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9976 -0.5721 1.3905 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 2.3014 -1.4643 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 1.4052 0.9836 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2940 1.6702 -0.4077 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4062 0.4093 0.9269 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9679 0.4200 -0.9927 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0399 -0.8082 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0495 -0.7986 -0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 2.8122 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3839 2.0908 -0.2954 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6681 0.9793 1.2356 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0651 0.7185 -0.3801 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0944 2.9260 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 2.1962 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0883 -0.4307 -0.0916 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3024 0.1576 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8383 -1.9603 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3127 -1.9420 -1.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8435 -1.7547 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -3.0577 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5053 -3.0483 -1.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7973 -0.5693 0.5809 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4525 0.7435 -0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -0.6733 0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 2.2003 -2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8669 3.6026 -1.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6346 -0.9182 1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6935 0.4985 -0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9073 -0.5079 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4633 -4.9801 -1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7846 -0.3323 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4883 -2.2902 2.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6282 1.9127 -1.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 1.0003 1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 1.9656 -1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5893 0.0636 1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 0.5845 -2.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4729 2.8800 2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 3.2518 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1609 2.8682 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 1.0722 2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 0.5560 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 2.2256 1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 3.1271 1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 -0.5128 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 -2.0073 0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1338 -1.9582 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1861 -2.5495 0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 -2.0613 -0.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2405 -0.7603 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3283 1.3577 -1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -1.1030 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 2.5655 -3.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 1.1622 -2.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2387 2.7846 -2.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 3.8363 -2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5673 4.4197 -1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 3.6159 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4942 -0.3182 2.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6077 0.3030 1.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 -1.4554 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0572 -5.8845 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1464 -5.2759 -2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6754 -0.0845 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7372 -2.9124 3.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8007 -1.5153 3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 -2.9524 2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6163 2.2926 -2.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2514 1.3468 -2.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0076 2.7851 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 32 1 0 0 0 0 5 29 1 0 0 0 0 5 32 1 0 0 0 0 6 23 2 0 0 0 0 7 30 1 0 0 0 0 7 40 1 0 0 0 0 8 31 1 0 0 0 0 8 40 1 0 0 0 0 9 37 1 0 0 0 0 9 42 1 0 0 0 0 10 38 1 0 0 0 0 10 43 1 0 0 0 0 11 41 1 0 0 0 0 11 74 1 0 0 0 0 12 20 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 27 2 0 0 0 0 18 28 2 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 29 1 0 0 0 0 25 55 1 0 0 0 0 26 33 2 0 0 0 0 26 34 1 0 0 0 0 27 30 1 0 0 0 0 27 56 1 0 0 0 0 28 31 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 32 39 1 0 0 0 0 32 60 1 0 0 0 0 33 38 1 0 0 0 0 33 61 1 0 0 0 0 34 37 2 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 41 1 0 0 0 0 38 41 2 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 M END $$$$