B5EM2U
-OEChem-04022105132D
47 49 0 0 0 0 0 0 0999 V2000
3.2733 -0.9223 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6160 4.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 -4.5101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 1.7514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -1.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -2.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2147 3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6324 4.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5823 0.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8913 -0.9223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6215 4.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0392 5.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0337 5.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -3.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -4.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -4.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -4.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0227 5.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 -5.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2995 2.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 2.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4606 1.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0124 1.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3310 2.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5792 3.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0158 4.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9467 0.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4810 -1.1139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6747 5.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -2.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -2.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2859 5.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4853 -4.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -5.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5891 5.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2749 6.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4563 5.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7303 -5.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 -6.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9703 -5.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 10 1 0 0 0 0
2 8 2 0 0 0 0
3 17 1 0 0 0 0
3 25 1 0 0 0 0
4 22 1 0 0 0 0
4 26 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 11 1 0 0 0 0
6 7 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 13 2 0 0 0 0
7 14 1 0 0 0 0
8 9 1 0 0 0 0
9 15 2 0 0 0 0
10 12 1 0 0 0 0
10 16 2 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 19 2 0 0 0 0
12 21 1 0 0 0 0
13 17 1 0 0 0 0
13 32 1 0 0 0 0
14 18 2 0 0 0 0
14 33 1 0 0 0 0
15 16 1 0 0 0 0
15 34 1 0 0 0 0
16 35 1 0 0 0 0
17 20 2 0 0 0 0
18 20 1 0 0 0 0
18 36 1 0 0 0 0
19 22 1 0 0 0 0
19 37 1 0 0 0 0
20 39 1 0 0 0 0
21 23 2 0 0 0 0
21 38 1 0 0 0 0
22 24 2 0 0 0 0
23 24 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
M END
$$$$