B79YHC
-OEChem-04012113043D
40 42 0 0 0 0 0 0 0999 V2000
5.0539 -0.9976 -0.0707 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.1822 -3.2436 0.0940 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.0423 -1.6092 1.2310 F 0 0 0 0 0 0 0 0 0 0 0 0
-5.0740 -1.5528 -0.9426 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4298 -1.8012 -1.2252 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6072 0.3401 0.0896 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8531 -0.6600 0.0708 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9153 0.1924 0.1352 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2756 3.6672 1.4427 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6312 0.4725 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5268 -0.7388 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0801 1.8108 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7151 -1.7293 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3112 -0.8978 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9745 -1.1785 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1489 -1.8103 -0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2968 0.2533 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5410 -1.8899 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6891 0.1739 0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8276 2.5133 -1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7911 2.4222 1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2712 -1.8724 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4787 -1.9129 1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2976 3.7968 -0.9714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1107 1.9281 -2.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0418 4.3239 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 -2.7602 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5829 -2.5921 -1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9271 1.0105 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0043 -2.7347 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2711 0.9332 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9845 1.9335 2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0133 -2.8991 1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5655 -2.0156 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1306 -1.3630 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0845 4.3804 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9089 2.6439 -3.1932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4797 1.0515 -2.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1642 1.6410 -2.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3722 5.3208 0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 14 1 0 0 0 0
1 23 1 0 0 0 0
2 22 1 0 0 0 0
3 22 1 0 0 0 0
4 22 1 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
8 10 2 0 0 0 0
8 15 1 0 0 0 0
9 21 2 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
13 15 2 0 0 0 0
13 27 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 22 1 0 0 0 0
16 18 1 0 0 0 0
16 28 1 0 0 0 0
17 19 2 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
20 24 1 0 0 0 0
20 25 1 0 0 0 0
21 32 1 0 0 0 0
23 33 1 0 0 0 0
23 34 1 0 0 0 0
23 35 1 0 0 0 0
24 26 2 0 0 0 0
24 36 1 0 0 0 0
25 37 1 0 0 0 0
25 38 1 0 0 0 0
25 39 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$