B6P4UX
-OEChem-04012118492D
44 46 0 0 0 0 0 0 0999 V2000
6.2524 1.3874 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.0614 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2524 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2524 1.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5714 -2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2524 2.3874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 -1.8559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3864 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1184 2.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3864 3.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1184 3.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2524 4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2524 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4434 -0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7524 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7524 -1.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 -1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3402 -1.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 -3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 -4.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 -4.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7758 2.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1743 2.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3305 2.3048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7290 2.9951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1743 4.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7758 3.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7290 3.7798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3305 4.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6509 4.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8539 4.8624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8537 -0.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8386 -2.3248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7046 -2.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8418 -1.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9179 -1.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 -1.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 -3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -3.3046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 -4.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 -4.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 6 1 0 0 0 0
1 13 1 0 0 0 0
2 13 1 0 0 0 0
2 16 1 0 0 0 0
5 17 2 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
7 17 1 0 0 0 0
7 19 1 0 0 0 0
7 39 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 11 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 12 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
14 35 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
16 18 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
18 38 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 40 1 0 0 0 0
21 23 2 0 0 0 0
21 41 1 0 0 0 0
22 24 2 0 0 0 0
22 42 1 0 0 0 0
23 24 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
M END
$$$$