D0X1CB
-OEChem-04152108532D
83 87 0 1 0 0 0 0 0999 V2000
7.9376 2.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1369 1.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7148 -1.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2274 -2.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6390 4.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4630 1.6401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4721 0.6742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7791 -1.1401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8473 -1.6578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5970 2.1401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8062 3.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7949 3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2000 2.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7309 1.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4630 0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4862 -0.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6061 0.1742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6402 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3802 -0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3813 1.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5544 -2.3649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1061 -0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4154 1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5203 -2.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1566 2.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1907 2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2956 -3.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2153 -0.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9659 4.1072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9318 3.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 4.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3296 -3.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1093 -0.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1563 0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6225 -2.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0708 -4.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9443 -0.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9913 1.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8853 0.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6566 -3.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1049 -4.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3978 -4.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9099 2.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8070 3.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1897 3.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3845 3.4068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6662 3.8215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5654 1.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7365 2.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5853 -1.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 0.7889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9640 0.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0225 0.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5861 -0.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0104 -1.3787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8061 -1.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9990 1.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4354 2.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2422 -0.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9555 -2.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7978 1.6037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3614 1.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7742 2.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2106 3.2413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2484 -1.8182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5730 2.8285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1366 2.2649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3496 -3.9484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9132 -3.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9659 3.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6144 5.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6969 5.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1458 -1.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6020 0.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7830 -2.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5092 -4.9939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4986 -0.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9547 1.8366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4030 1.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2182 -2.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9444 -5.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7989 -4.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 16 2 0 0 0 0
3 30 1 0 0 0 0
3 32 1 0 0 0 0
4 23 2 0 0 0 0
5 25 2 0 0 0 0
6 31 2 0 0 0 0
7 11 1 0 0 0 0
7 14 1 0 0 0 0
7 16 1 0 0 0 0
8 15 1 0 0 0 0
8 18 1 0 0 0 0
8 53 1 0 0 0 0
9 17 1 0 0 0 0
9 25 1 0 0 0 0
9 60 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
10 66 1 0 0 0 0
11 12 1 0 0 0 0
11 15 1 0 0 0 0
11 44 1 6 0 0 0
12 13 1 0 0 0 0
12 45 1 0 0 0 0
12 46 1 0 0 0 0
13 14 1 0 0 0 0
13 47 1 0 0 0 0
13 48 1 0 0 0 0
14 49 1 0 0 0 0
14 50 1 0 0 0 0
16 17 1 0 0 0 0
17 20 1 6 0 0 0
17 51 1 0 0 0 0
18 19 1 6 0 0 0
18 23 1 0 0 0 0
18 52 1 0 0 0 0
19 21 1 0 0 0 0
19 54 1 0 0 0 0
19 55 1 0 0 0 0
20 29 1 0 0 0 0
20 56 1 0 0 0 0
20 57 1 0 0 0 0
21 24 1 0 0 0 0
21 58 1 0 0 0 0
21 59 1 0 0 0 0
22 25 1 0 0 0 0
22 28 1 6 0 0 0
22 61 1 0 0 0 0
24 26 1 0 0 0 0
24 62 1 0 0 0 0
24 63 1 0 0 0 0
26 27 1 0 0 0 0
26 64 1 0 0 0 0
26 65 1 0 0 0 0
27 31 1 0 0 0 0
27 67 1 0 0 0 0
27 68 1 0 0 0 0
28 33 1 0 0 0 0
28 69 1 0 0 0 0
28 70 1 0 0 0 0
29 34 2 0 0 0 0
29 35 1 0 0 0 0
30 31 1 1 0 0 0
30 32 1 0 0 0 0
30 71 1 0 0 0 0
32 72 1 0 0 0 0
32 73 1 0 0 0 0
33 36 2 0 0 0 0
33 37 1 0 0 0 0
34 38 1 0 0 0 0
34 74 1 0 0 0 0
35 39 2 0 0 0 0
35 75 1 0 0 0 0
36 41 1 0 0 0 0
36 76 1 0 0 0 0
37 42 2 0 0 0 0
37 77 1 0 0 0 0
38 40 2 0 0 0 0
38 78 1 0 0 0 0
39 40 1 0 0 0 0
39 79 1 0 0 0 0
40 80 1 0 0 0 0
41 43 2 0 0 0 0
41 81 1 0 0 0 0
42 43 1 0 0 0 0
42 82 1 0 0 0 0
43 83 1 0 0 0 0
M END
$$$$