B01YEX
-OEChem-04012114212D
79 82 0 1 0 0 0 0 0999 V2000
6.4004 -1.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4554 -1.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 1.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6673 0.4990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1080 3.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3871 -2.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2845 4.6444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4852 0.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3777 3.2756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2223 -0.9421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0784 -0.3487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1645 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9845 0.6887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2838 -0.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0835 1.1225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2140 0.5491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.1611 -1.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7376 -2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8610 2.0975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8855 1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2160 0.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4845 2.8793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9312 2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1080 2.0975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4845 2.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4828 -2.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9347 3.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9767 3.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5561 -0.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6609 -3.0781 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
10.0829 2.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1949 4.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7434 -4.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7277 -1.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7566 -2.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9215 -4.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7986 -2.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8284 -0.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9252 -0.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7239 0.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7268 -0.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0171 1.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2122 -1.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7790 -1.2538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1100 -0.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1769 -2.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4729 -2.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2982 -2.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6897 1.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1768 1.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5972 0.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2551 -0.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5643 1.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4132 2.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7535 3.4379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6098 -2.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7211 3.5687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1138 1.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6981 2.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5814 4.5504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7101 4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8083 3.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0027 -4.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3430 -3.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0214 -2.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1960 -2.3865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4920 -3.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9821 3.4135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5683 -4.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4119 -4.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2747 -5.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1801 -2.2145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8425 -2.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4170 -2.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7844 -0.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6527 -0.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -1.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3473 -1.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10 1 1 1 0 0 0
1 26 1 0 0 0 0
14 2 1 6 0 0 0
2 29 1 0 0 0 0
15 3 1 1 0 0 0
3 54 1 0 0 0 0
4 20 2 0 0 0 0
22 5 1 6 0 0 0
5 58 1 0 0 0 0
6 26 2 0 0 0 0
7 27 2 0 0 0 0
8 29 2 0 0 0 0
9 31 1 0 0 0 0
9 69 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 40 1 1 0 0 0
12 17 1 0 0 0 0
12 18 1 0 0 0 0
13 15 1 0 0 0 0
13 20 1 0 0 0 0
13 41 1 6 0 0 0
14 16 1 0 0 0 0
14 42 1 0 0 0 0
15 16 1 0 0 0 0
15 19 1 0 0 0 0
16 21 1 1 0 0 0
16 43 1 0 0 0 0
17 44 1 0 0 0 0
17 45 1 0 0 0 0
17 46 1 0 0 0 0
18 47 1 0 0 0 0
18 48 1 0 0 0 0
18 49 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
19 50 1 1 0 0 0
20 24 1 0 0 0 0
21 51 1 0 0 0 0
21 52 1 0 0 0 0
21 53 1 0 0 0 0
22 25 1 0 0 0 0
22 27 1 0 0 0 0
23 28 2 0 0 0 0
23 55 1 0 0 0 0
24 25 2 0 0 0 0
24 31 1 0 0 0 0
25 56 1 0 0 0 0
26 30 1 0 0 0 0
27 28 1 0 0 0 0
28 32 1 0 0 0 0
29 34 1 0 0 0 0
30 33 1 0 0 0 0
30 35 1 0 0 0 0
30 57 1 0 0 0 0
31 59 1 0 0 0 0
31 60 1 0 0 0 0
32 61 1 0 0 0 0
32 62 1 0 0 0 0
32 63 1 0 0 0 0
33 36 1 0 0 0 0
33 64 1 0 0 0 0
33 65 1 0 0 0 0
34 37 1 0 0 0 0
34 38 2 0 0 0 0
35 66 1 0 0 0 0
35 67 1 0 0 0 0
35 68 1 0 0 0 0
36 70 1 0 0 0 0
36 71 1 0 0 0 0
36 72 1 0 0 0 0
37 73 1 0 0 0 0
37 74 1 0 0 0 0
37 75 1 0 0 0 0
38 39 1 0 0 0 0
38 76 1 0 0 0 0
39 77 1 0 0 0 0
39 78 1 0 0 0 0
39 79 1 0 0 0 0
M END
$$$$