B1BN9D -OEChem-04042104103D 39 41 0 1 0 0 0 0 0999 V2000 1.4324 -0.3737 -0.9041 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 0.5876 1.8356 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 0.4195 -0.2561 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 1.6420 -0.1406 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 -2.8416 0.6757 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9277 -1.3997 -0.4473 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 -0.6852 -0.8145 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7235 -0.1543 -0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7531 0.7902 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 1.4321 0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1307 0.5027 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 1.7627 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 -1.8909 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8026 1.0543 0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2144 0.9817 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9003 -0.2362 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2417 -0.2508 -0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 2.1865 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2841 -1.4634 0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8533 0.9687 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1718 2.1796 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 -2.6489 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2963 -2.5628 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9407 -0.9006 -1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9005 0.4255 -1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4890 -0.9343 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8778 0.2167 1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5602 1.5258 0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 1.7155 1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3619 2.3133 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8868 2.6403 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6637 1.8454 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 1.9778 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 3.1365 0.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2502 -1.5335 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8877 0.9903 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6766 3.1150 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 -3.6070 0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -3.4563 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 14 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 33 1 0 0 0 0 5 13 3 0 0 0 0 6 17 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$