D0K8EF
-OEChem-09301911323D
84 89 0 0 0 0 0 0 0999 V2000
2.5395 -0.1755 3.3176 F 0 0 0 0 0 0 0 0 0 0 0 0
-6.1510 2.0941 0.0475 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1794 -0.3868 1.8236 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2085 3.3157 1.5639 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6117 -1.2220 0.2073 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8656 -3.1810 -0.9801 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8419 -2.3578 -1.5571 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3163 -3.9972 -1.9713 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1673 3.4670 -2.0456 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7140 3.2932 0.1661 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8735 3.6360 -1.7384 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5589 3.5412 -0.4390 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6112 -0.2032 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9287 -0.8320 0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8057 0.6366 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2119 1.0544 -0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8982 1.6844 -0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0195 0.2189 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8126 -2.2004 -0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4344 -1.2310 0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5768 -2.3332 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3300 -3.2507 -0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4845 1.6055 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4766 2.7480 0.2791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2638 -4.3713 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7887 -2.2911 1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7952 -5.7018 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4947 -3.4571 -2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3307 3.8685 -0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9104 2.2148 0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7534 -1.2118 1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7357 -6.8329 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0811 -0.1974 2.0919 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3226 -1.2254 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2634 -8.1759 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9781 0.8032 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2193 -0.2245 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5472 0.7899 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4776 1.8280 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0472 3.0081 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8354 1.6254 0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9748 3.9857 -0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7630 2.6031 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6542 3.2552 -0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3327 3.7832 -0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2744 0.4743 1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3047 -1.5817 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8643 1.1375 -1.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0739 0.0285 -1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7734 -1.3582 1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5767 0.4133 -1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5736 2.4357 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0561 2.2343 -1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9452 -0.2899 1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7696 0.8769 1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6156 0.8570 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6936 1.1384 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2877 -4.1766 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3380 -4.4358 -1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3257 -3.2463 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4630 -2.1641 2.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7603 -5.6427 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2205 -5.9391 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1199 -3.8832 -3.0432 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3377 4.3288 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0417 1.4603 1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6268 3.0148 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1773 1.7662 -0.6776 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0501 4.6732 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4905 3.4998 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7953 -6.8849 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7475 -6.6332 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8545 4.0253 1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 -2.0061 -0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2677 -8.4223 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9513 -8.9694 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2198 -8.1694 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2226 1.5861 2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6544 -0.2502 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1905 0.7121 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6607 4.9145 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8203 2.4458 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0551 4.5445 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1732 3.8240 -2.4477 H 0 0 0 0 0 0 0 0 0 0 0 0
1 33 1 0 0 0 0
2 16 1 0 0 0 0
2 23 1 0 0 0 0
3 20 2 0 0 0 0
4 24 1 0 0 0 0
4 73 1 0 0 0 0
5 13 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 8 1 0 0 0 0
6 19 1 0 0 0 0
6 22 1 0 0 0 0
7 19 2 0 0 0 0
7 28 1 0 0 0 0
8 28 2 0 0 0 0
9 11 1 0 0 0 0
9 44 2 0 0 0 0
10 12 2 0 0 0 0
10 44 1 0 0 0 0
11 12 1 0 0 0 0
11 84 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 46 1 0 0 0 0
14 18 1 0 0 0 0
14 47 1 0 0 0 0
14 50 1 0 0 0 0
15 17 1 0 0 0 0
15 48 1 0 0 0 0
15 49 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 51 1 0 0 0 0
17 52 1 0 0 0 0
17 53 1 0 0 0 0
18 54 1 0 0 0 0
18 55 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 26 1 0 0 0 0
22 25 1 0 0 0 0
23 24 1 0 0 0 0
23 56 1 0 0 0 0
23 57 1 0 0 0 0
24 29 1 0 0 0 0
24 30 1 0 0 0 0
25 27 1 0 0 0 0
25 58 1 0 0 0 0
25 59 1 0 0 0 0
26 31 1 0 0 0 0
26 60 1 0 0 0 0
26 61 1 0 0 0 0
27 32 1 0 0 0 0
27 62 1 0 0 0 0
27 63 1 0 0 0 0
28 64 1 0 0 0 0
29 65 1 0 0 0 0
29 69 1 0 0 0 0
29 70 1 0 0 0 0
30 66 1 0 0 0 0
30 67 1 0 0 0 0
30 68 1 0 0 0 0
31 33 2 0 0 0 0
31 34 1 0 0 0 0
32 35 1 0 0 0 0
32 71 1 0 0 0 0
32 72 1 0 0 0 0
33 36 1 0 0 0 0
34 37 2 0 0 0 0
34 74 1 0 0 0 0
35 75 1 0 0 0 0
35 76 1 0 0 0 0
35 77 1 0 0 0 0
36 38 2 0 0 0 0
36 78 1 0 0 0 0
37 38 1 0 0 0 0
37 79 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 2 0 0 0 0
40 42 2 0 0 0 0
40 44 1 0 0 0 0
41 43 1 0 0 0 0
41 80 1 0 0 0 0
42 45 1 0 0 0 0
42 81 1 0 0 0 0
43 45 2 0 0 0 0
43 82 1 0 0 0 0
45 83 1 0 0 0 0
M END
$$$$