B1QSX0
-OEChem-04042103553D
50 52 0 0 0 0 0 0 0999 V2000
2.1518 1.7978 -0.0037 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.5801 0.3999 0.2702 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3484 2.4703 -1.2803 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5390 2.4650 1.2325 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8597 -1.0214 0.1055 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9717 -0.8302 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5762 -1.7345 0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9882 -0.5611 -1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9315 -1.2125 1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3265 -0.0804 -0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2498 0.7232 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0973 0.2985 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4579 1.3819 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4143 -0.3037 -1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5205 -0.2812 1.1647 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 0.8742 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5187 0.9020 1.3812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2732 1.2034 -1.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1649 1.2312 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5781 -2.0654 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1548 -1.4856 -1.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2609 -1.4632 1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9763 0.2875 -2.5492 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1986 0.3334 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3694 -3.3292 -0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1056 -1.3505 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8989 -1.8065 1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7032 -2.7463 0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1487 -1.4802 -2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6060 0.1988 -2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3638 -1.9364 1.9195 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8059 -0.2729 1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0458 0.0164 -1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2185 0.9149 -0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7462 -0.6670 0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1867 0.7568 -1.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0019 0.7952 2.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1615 1.3554 -2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3565 1.4074 2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4081 -1.9588 -2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5971 -1.9191 2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9001 0.4177 -2.6129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5309 1.1990 -2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2099 -0.4032 -3.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1356 0.4946 2.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4726 -0.3606 3.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7993 1.2270 2.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4397 -3.1018 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1614 -3.9404 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1191 -3.9385 -0.9713 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 12 1 0 0 0 0
1 13 1 0 0 0 0
2 6 1 0 0 0 0
2 11 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 35 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 26 1 0 0 0 0
7 9 1 0 0 0 0
7 27 1 0 0 0 0
7 28 1 0 0 0 0
8 10 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 21 1 0 0 0 0
14 23 1 0 0 0 0
15 22 2 0 0 0 0
15 24 1 0 0 0 0
16 18 1 0 0 0 0
16 36 1 0 0 0 0
17 19 2 0 0 0 0
17 37 1 0 0 0 0
18 38 1 0 0 0 0
19 39 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
20 25 1 0 0 0 0
21 40 1 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
24 45 1 0 0 0 0
24 46 1 0 0 0 0
24 47 1 0 0 0 0
25 48 1 0 0 0 0
25 49 1 0 0 0 0
25 50 1 0 0 0 0
M END
$$$$