B3Q2WS
-OEChem-04022103173D
29 30 0 0 0 0 0 0 0999 V2000
0.6494 1.1332 1.0085 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5935 -1.3400 -0.4812 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0520 -2.4163 0.7961 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2019 0.0461 0.1252 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7098 -1.5891 -1.2612 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0157 1.4057 0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6192 1.9447 0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5800 1.0434 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9539 -1.0926 0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6513 -0.2845 -1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 -0.1153 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0787 2.1098 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6005 -0.2074 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2759 -2.0989 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0991 0.8591 -0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3383 2.0176 -0.9086 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3938 -1.4155 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2082 1.3689 1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7809 2.0362 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5425 2.9698 0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4705 1.9483 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5841 -1.1031 1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9193 0.4484 -1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9387 -0.9389 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5317 3.0398 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2170 -3.1644 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0748 0.8305 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7293 2.8507 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1209 -2.1590 -0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 17 1 0 0 0 0
2 29 1 0 0 0 0
3 17 2 0 0 0 0
4 6 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
5 10 2 0 0 0 0
5 14 1 0 0 0 0
6 7 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
9 14 2 0 0 0 0
9 22 1 0 0 0 0
10 23 1 0 0 0 0
11 13 2 0 0 0 0
11 24 1 0 0 0 0
12 16 1 0 0 0 0
12 25 1 0 0 0 0
13 15 1 0 0 0 0
13 17 1 0 0 0 0
14 26 1 0 0 0 0
15 16 2 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
M END
$$$$