B21EIN
-OEChem-04042104543D
49 51 0 1 0 0 0 0 0999 V2000
-1.1116 0.5176 -1.0613 F 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 -2.1269 0.8518 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3108 2.5920 -0.4931 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8457 1.3704 -1.7166 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9424 -1.1991 -1.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5352 -1.0987 0.4447 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5389 1.4699 0.7048 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3707 0.5568 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1851 -1.1517 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2625 0.9645 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3860 -0.7052 1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0541 -2.0407 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1698 0.1104 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2934 -1.5595 0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2006 2.7909 1.4256 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2216 1.7901 -0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2051 -1.6510 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2222 -3.2872 -0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2962 -2.5077 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1312 -4.1437 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1280 -3.7542 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5586 -0.3882 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4246 1.0999 -0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3127 -1.4429 -0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6459 1.8236 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0791 1.7586 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5214 3.2062 -0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9546 3.1411 1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1756 3.8648 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3047 0.9573 1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2304 1.9438 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2405 -1.0383 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3239 -2.5367 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5570 3.4314 0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6830 2.5958 2.3712 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1079 3.3610 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3502 -0.6845 1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1937 -3.6083 -0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2615 -5.1136 -1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9736 -4.4263 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5129 -0.6712 -1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5296 -0.7271 0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7185 -1.3466 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1326 1.3243 -1.8578 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6873 1.2057 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7350 2.7821 -1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9154 3.7698 -1.6059 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4637 3.6541 1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0786 4.9412 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 19 1 0 0 0 0
2 24 1 0 0 0 0
3 16 1 0 0 0 0
3 46 1 0 0 0 0
4 16 2 0 0 0 0
5 24 2 0 0 0 0
6 22 1 0 0 0 0
6 24 1 0 0 0 0
6 43 1 0 0 0 0
7 8 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
7 30 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 13 1 0 0 0 0
10 31 1 0 0 0 0
11 14 2 0 0 0 0
11 32 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
17 19 1 0 0 0 0
17 37 1 0 0 0 0
18 20 2 0 0 0 0
18 38 1 0 0 0 0
19 21 2 0 0 0 0
20 21 1 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
22 23 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
25 27 1 0 0 0 0
25 44 1 0 0 0 0
26 28 2 0 0 0 0
26 45 1 0 0 0 0
27 29 2 0 0 0 0
27 47 1 0 0 0 0
28 29 1 0 0 0 0
28 48 1 0 0 0 0
29 49 1 0 0 0 0
M END
$$$$