B2RNQ7 -OEChem-04012114273D 49 52 0 0 0 0 0 0 0999 V2000 -4.4817 0.3868 -0.2483 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 1.2785 0.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8336 -4.9182 0.1176 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6287 2.2644 -1.5642 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4106 0.2178 -0.6005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8647 0.5025 0.5366 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5681 2.6383 0.9081 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8724 2.4444 0.4989 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0008 1.4671 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6048 -0.8639 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4192 1.1845 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7288 0.8605 -0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2859 0.5314 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0306 1.1583 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5321 1.0352 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3502 1.1098 -0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1386 -1.3821 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8151 -1.6884 1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4476 0.4610 1.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 0.7113 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5671 0.9313 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6647 0.2821 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8784 -2.7484 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 -3.0547 1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0866 -3.5848 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9348 0.6805 -1.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4824 0.3565 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6083 1.8043 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9557 1.3268 -0.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3567 -5.3930 -1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 1.9527 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4983 0.1919 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 1.3639 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9714 -0.7399 -1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1792 -1.2879 2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8555 0.2108 2.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 0.6409 2.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1607 1.1828 -2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 0.0272 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5163 -3.0932 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 -3.7012 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5720 0.7384 -2.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5472 0.1614 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7249 2.3081 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2025 2.5027 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 -4.9584 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 -6.4735 -1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0962 -5.2419 -1.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5095 1.9426 -1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 28 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 25 1 0 0 0 0 3 30 1 0 0 0 0 4 29 1 0 0 0 0 4 49 1 0 0 0 0 5 29 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 21 2 0 0 0 0 13 19 1 0 0 0 0 13 22 2 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 33 1 0 0 0 0 17 23 1 0 0 0 0 17 34 1 0 0 0 0 18 24 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 27 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$