B1V3UJ -OEChem-04022104283D 47 49 0 1 0 0 0 0 0999 V2000 -2.7322 -1.0568 1.9737 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 -2.5504 -1.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 0.6733 -0.0121 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.9999 0.1917 -0.1003 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8799 -1.1887 0.5549 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7718 -0.4418 -0.4651 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5343 -1.7062 0.0009 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9438 1.1999 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 1.9181 -0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 2.5609 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3427 3.0058 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 -2.0830 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6087 -0.3973 0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 -0.2429 0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -0.3612 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 1.0853 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 0.3566 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 -0.2833 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0215 -0.3220 0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9327 -0.3580 -2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2854 0.0673 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.4418 -1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 -2.2755 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9806 0.8536 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7183 1.3127 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 1.7784 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 2.2594 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4074 3.3093 0.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1990 2.4944 -1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2551 3.9179 -0.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0105 3.2598 0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9811 -1.6864 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 -2.1781 -0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9238 -3.0856 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 -0.3913 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 -1.9485 2.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -2.8182 -1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6213 -1.0959 1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4109 1.1310 2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4391 1.9819 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7165 0.7692 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6873 -0.0863 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4623 -0.2934 -1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8907 -0.3189 1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5019 -1.2332 -2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 0.5468 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 -0.3839 -2.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 36 1 0 0 0 0 2 7 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 M END $$$$