B3R6AS -OEChem-04012113213D 33 35 0 1 0 0 0 0 0999 V2000 -1.0618 1.9578 -1.1607 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 2.5132 0.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0895 -1.4583 -0.7766 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9104 -0.8297 0.1069 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 0.6938 0.6763 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0077 -0.6719 1.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 -1.6266 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 0.6513 -0.5959 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2125 1.2974 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1918 -1.0077 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 0.3827 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 0.1423 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2869 -1.8410 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 0.9254 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5303 -1.2986 -0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6913 0.0828 -0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2001 0.7892 0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8482 -0.9695 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4636 0.2673 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 1.3730 1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9795 -1.1335 1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4635 -0.5248 2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 -1.9178 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -2.5396 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5005 0.0315 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1771 -2.9219 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7587 1.9996 -0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 2.5878 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3721 -1.9542 -0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6594 0.5047 -0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8925 1.6774 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 -1.5215 -1.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1654 0.7232 1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 28 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 M END $$$$