B4B3NS -OEChem-04022108463D 41 42 0 1 0 0 0 0 0999 V2000 4.1951 1.5291 0.3924 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 -0.5037 1.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 -3.4592 0.8908 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0816 0.4072 0.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 -0.9544 1.7788 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 2.6090 -0.4898 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 0.7828 -0.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2278 2.7597 -0.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9327 2.0914 1.5723 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 -0.1211 0.5966 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2884 -3.6625 -2.3568 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 0.8971 0.4599 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4974 -1.8883 -0.7308 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6979 -2.2925 0.1200 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3745 -1.1839 0.3014 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8317 -1.1130 1.0754 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2026 -3.0227 -1.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3401 -0.1752 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2918 0.8493 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1085 -0.1253 1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 1.8263 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4819 1.8885 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5247 2.8614 -1.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 -1.1603 -1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6018 -2.4852 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9312 -1.9004 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1358 -1.4358 2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5979 -3.7579 -0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 -2.6340 -2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 0.6155 -0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 -0.6747 -0.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3165 -3.2771 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2541 0.8204 -0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7698 -4.3921 -2.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0551 -2.9960 -3.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 0.9140 0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0622 2.8149 -2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 2.7235 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 3.8634 -1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8278 3.4336 -0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 1.2298 -1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 18 1 0 0 0 0 5 20 2 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 8 22 2 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 17 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 20 1 0 0 0 0 12 22 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 17 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$