BC2V3Q -OEChem-04012113403D 38 39 0 0 0 0 0 0 0999 V2000 -0.8384 -1.9529 1.8003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 2.7437 1.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3348 0.9123 2.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 -3.2850 1.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1901 -1.9940 0.2229 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1425 -0.3567 0.1872 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3979 0.3853 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3766 0.0344 -0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2311 -1.0762 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9152 0.0601 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 1.3958 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5699 0.7561 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 0.9587 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0035 -0.4352 -1.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4679 -1.9673 -1.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 2.1173 1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7318 1.7976 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 -1.5145 1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 1.3616 -0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -0.0323 -2.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 0.8660 -2.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8099 1.4960 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2898 -2.2708 0.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0169 -0.6678 -2.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -1.7578 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 1.6630 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3838 0.5503 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3097 -1.1630 -2.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -2.3159 -0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 -2.8498 -2.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3262 -1.4630 -2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8294 2.9252 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 2.3625 0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6889 2.0488 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1244 -0.4254 -3.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8243 1.1752 -2.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 3.0982 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0546 -3.8244 1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 22 1 0 0 0 0 2 37 1 0 0 0 0 3 22 2 0 0 0 0 4 23 1 0 0 0 0 4 38 1 0 0 0 0 5 23 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 15 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 16 1 0 0 0 0 11 26 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 19 2 0 0 0 0 13 22 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$