B2K3MW -OEChem-04022115183D 37 40 0 0 0 0 0 0 0999 V2000 -4.9202 -1.5139 -1.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0828 1.8781 -0.4443 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8985 0.4718 -0.8157 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1471 -0.5745 0.2062 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 -2.9701 0.2632 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0575 -1.9251 0.0301 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2296 3.2609 0.8916 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0053 -1.5922 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2001 -0.4666 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 -1.4934 0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 0.9126 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9384 1.3256 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1354 -0.8647 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3579 -2.8201 0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6569 -1.8203 0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 1.9392 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2412 2.6944 -0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 -0.9626 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3728 3.6066 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 -1.2387 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 0.2681 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 -0.2842 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 1.2227 -0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 0.9465 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7302 -0.9190 1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -2.4880 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5351 0.9181 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 -3.7512 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 1.7205 1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1543 3.0480 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3898 -2.8775 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5878 4.6695 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 -2.1935 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8388 0.5093 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3632 -0.5049 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5963 2.1742 -1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 2.6679 -0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 24 1 0 0 0 0 2 37 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 27 1 0 0 0 0 4 9 2 0 0 0 0 4 15 1 0 0 0 0 5 14 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 31 1 0 0 0 0 7 16 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 14 28 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$