D02WKB
-OEChem-04152112003D
69 74 0 0 0 0 0 0 0999 V2000
-0.6021 0.5528 0.3323 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1606 -1.4020 0.3621 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9251 0.8302 -0.1229 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7336 -1.9219 -0.0368 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1528 -0.1712 0.7602 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5661 0.9934 0.2562 N 0 3 0 0 0 0 0 0 0 0 0 0
4.1234 2.3489 0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3040 2.5872 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3830 -0.0836 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3116 1.4930 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8359 0.1780 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2205 0.8527 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6058 -0.3853 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8037 -1.3499 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4147 -1.5125 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7862 -0.8401 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6844 1.7766 -0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1314 -0.5288 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5681 0.7425 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2087 -0.5285 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8102 -2.7674 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3789 -1.7797 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4023 1.8608 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4365 0.7768 -0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0261 1.2667 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4214 -2.8985 -0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8248 1.3784 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2950 -0.5337 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8522 0.2976 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2452 0.8833 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2502 -3.2364 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4530 0.0063 0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9949 1.2901 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2339 -1.0970 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3177 1.4708 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5568 -0.9165 -0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.0988 0.3674 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3474 3.0980 0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4024 2.3827 1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9878 2.5788 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7401 3.5685 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6592 1.7619 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4321 -2.2197 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4931 -1.8607 0.4822 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0397 2.7791 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4194 -3.6538 -0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3440 2.5394 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7145 2.4519 -1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1481 0.2206 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4763 0.0643 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0640 0.6134 -1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3104 2.0708 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1362 1.9218 -0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7841 2.1065 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0381 -3.9014 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9100 -0.5473 1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8909 -0.9193 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8780 -0.4562 -0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5603 -0.2399 1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2470 1.5962 1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5130 1.4059 -0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3418 -3.1629 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9421 -3.9172 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0019 -3.6215 -1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4302 2.1728 0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8170 -2.0994 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7421 2.4698 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.1650 -1.7757 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.1293 0.5078 -0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
1 25 1 0 0 0 0
2 18 1 0 0 0 0
2 28 1 0 0 0 0
3 19 1 0 0 0 0
3 28 1 0 0 0 0
4 22 1 0 0 0 0
4 31 1 0 0 0 0
5 30 1 0 0 0 0
5 32 1 0 0 0 0
6 7 1 0 0 0 0
6 9 2 0 0 0 0
6 12 1 0 0 0 0
7 8 1 0 0 0 0
7 38 1 0 0 0 0
7 39 1 0 0 0 0
8 10 1 0 0 0 0
8 40 1 0 0 0 0
8 41 1 0 0 0 0
9 11 1 0 0 0 0
9 14 1 0 0 0 0
10 11 1 0 0 0 0
10 17 2 0 0 0 0
11 16 2 0 0 0 0
12 13 2 0 0 0 0
12 42 1 0 0 0 0
13 15 1 0 0 0 0
13 20 1 0 0 0 0
14 15 2 0 0 0 0
14 43 1 0 0 0 0
15 21 1 0 0 0 0
16 18 1 0 0 0 0
16 44 1 0 0 0 0
17 19 1 0 0 0 0
17 45 1 0 0 0 0
18 19 2 0 0 0 0
20 22 2 0 0 0 0
21 26 2 0 0 0 0
21 46 1 0 0 0 0
22 26 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 47 1 0 0 0 0
23 48 1 0 0 0 0
24 27 1 0 0 0 0
24 49 1 0 0 0 0
24 50 1 0 0 0 0
25 51 1 0 0 0 0
25 52 1 0 0 0 0
26 55 1 0 0 0 0
27 29 1 0 0 0 0
27 53 1 0 0 0 0
27 54 1 0 0 0 0
28 56 1 0 0 0 0
28 57 1 0 0 0 0
29 30 1 0 0 0 0
29 58 1 0 0 0 0
29 59 1 0 0 0 0
30 60 1 0 0 0 0
30 61 1 0 0 0 0
31 62 1 0 0 0 0
31 63 1 0 0 0 0
31 64 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
33 35 1 0 0 0 0
33 65 1 0 0 0 0
34 36 2 0 0 0 0
34 66 1 0 0 0 0
35 37 2 0 0 0 0
35 67 1 0 0 0 0
36 37 1 0 0 0 0
36 68 1 0 0 0 0
37 69 1 0 0 0 0
M CHG 1 6 1
M END
$$$$