B2ETU0
-OEChem-04022106352D
51 55 0 0 0 0 0 0 0999 V2000
5.4716 1.9024 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.7955 0.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9833 2.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5192 -4.0044 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
4.6531 -2.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1172 1.4956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1172 0.4956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.3791 0.9956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2807 0.5011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8080 1.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3025 0.2932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5192 -3.0044 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
8.9833 -0.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8493 1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8493 0.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9833 -1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9833 1.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1172 -1.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7955 1.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2512 1.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1172 -2.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2512 -1.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3852 1.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1062 2.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2512 -3.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3852 -1.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3852 -2.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8025 1.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 2.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 4.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1953 -1.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5938 -0.8967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6498 2.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8527 2.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6542 -2.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2512 -0.3844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6955 2.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2988 3.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5169 2.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2512 -3.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8483 -1.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4436 0.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 2.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 1.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 4.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 3.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 4.5708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 1 0 0 0 0
1 28 1 0 0 0 0
2 8 1 0 0 0 0
2 15 1 0 0 0 0
3 17 2 0 0 0 0
4 12 1 0 0 0 0
5 12 2 0 0 0 0
6 7 1 0 0 0 0
6 17 1 0 0 0 0
6 20 1 0 0 0 0
7 13 2 0 0 0 0
8 19 2 0 0 0 0
9 11 1 0 0 0 0
9 23 2 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
10 46 1 0 0 0 0
11 28 2 0 0 0 0
12 27 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 0 0 0 0
14 15 2 0 0 0 0
14 17 1 0 0 0 0
14 19 1 0 0 0 0
16 18 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 24 1 0 0 0 0
20 23 1 0 0 0 0
20 37 1 0 0 0 0
20 38 1 0 0 0 0
21 25 1 0 0 0 0
21 39 1 0 0 0 0
22 26 2 0 0 0 0
22 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
25 27 2 0 0 0 0
25 44 1 0 0 0 0
26 27 1 0 0 0 0
26 45 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
30 32 1 0 0 0 0
30 47 1 0 0 0 0
31 33 2 0 0 0 0
31 48 1 0 0 0 0
32 34 2 0 0 0 0
32 49 1 0 0 0 0
33 34 1 0 0 0 0
33 50 1 0 0 0 0
34 51 1 0 0 0 0
M CHG 2 4 -1 12 1
M END
$$$$