BU5SB3
-OEChem-04012117212D
38 38 0 1 0 0 0 0 0999 V2000
2.0000 0.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 -2.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -1.6855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 1.5759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5855 -0.7376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0229 0.2916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 -0.1467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2733 -1.0977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5823 -0.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 -1.0977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3222 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 0.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 2.3849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5366 -1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3776 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2797 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9699 -0.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1763 -1.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1888 -0.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5175 0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9883 -1.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1306 -0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7326 -1.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5138 -1.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3151 2.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4490 2.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3119 2.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4606 1.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0124 1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3310 2.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2455 -1.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0252 -1.4284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2487 0.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7712 0.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 13 2 0 0 0 0
3 8 1 0 0 0 0
3 10 1 0 0 0 0
3 24 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
5 13 1 0 0 0 0
5 16 1 0 0 0 0
5 17 1 0 0 0 0
6 18 3 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 12 1 1 0 0 0
7 19 1 0 0 0 0
8 11 1 1 0 0 0
8 20 1 0 0 0 0
9 10 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
10 13 1 1 0 0 0
10 23 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 18 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
M END
$$$$