B6ME9Q
-OEChem-04012114103D
80 83 0 1 0 0 0 0 0999 V2000
-1.7835 -2.0286 0.0642 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2981 0.9109 0.5514 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4735 -0.6269 1.7394 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1323 -2.9020 1.4178 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0845 1.3089 -0.1971 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2131 -3.3514 -0.1459 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6148 -0.8840 1.1474 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6142 -0.0832 -0.5119 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9805 -0.8717 -0.2478 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3342 -1.1592 -0.9169 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8074 -0.5639 -1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5738 -0.3045 -0.6697 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0856 0.1962 0.7878 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4985 0.3933 0.7310 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1183 1.1688 0.8158 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.7895 0.8497 -2.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4630 -1.4717 -2.6999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7102 1.3349 1.0146 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8131 -1.0936 -1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1240 0.7245 1.1221 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0177 2.0746 2.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9499 -1.3421 -0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3070 -0.7807 0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8836 2.4469 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2415 -2.9621 0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9111 1.5031 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0959 2.5569 -0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4374 0.1531 0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0003 -2.2362 -0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2093 -4.0855 1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4530 0.8019 -0.4074 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6021 3.5115 -1.5437 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8237 2.2310 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6039 3.1580 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4743 2.2802 1.4408 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2175 -1.3828 -1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6459 0.5259 -1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5777 -2.2012 -1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5988 0.5028 -1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1610 -0.2623 1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0718 1.8706 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1930 1.5829 -1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4494 0.9522 -3.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1828 1.1833 -2.5493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5125 -1.1969 -2.8417 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9604 -1.4014 -3.6714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4334 -2.5260 -2.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5389 1.7954 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7289 -1.5473 -2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5427 1.0137 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0241 2.4971 2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1817 1.5157 2.9768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6696 2.9245 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9493 -1.3811 1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3696 -0.9874 1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7763 -1.3305 1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0738 3.1185 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7229 -2.6032 -1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9451 -1.6929 -1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7323 -4.8646 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0900 -3.7192 1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4939 -4.5186 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9716 0.8712 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8230 4.2144 -1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4367 4.0918 -1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9513 2.9790 -2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5236 2.6747 -0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3770 -3.8449 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9821 3.0831 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9959 3.0091 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9473 4.2001 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7970 1.9093 2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7424 3.3103 1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3910 1.6842 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7048 -1.2865 -2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6123 -2.0107 -0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1131 -1.9917 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1457 1.3612 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4502 -0.1931 -1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2571 0.8604 -2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 25 1 0 0 0 0
2 13 1 0 0 0 0
2 28 1 0 0 0 0
3 14 1 0 0 0 0
3 54 1 0 0 0 0
4 25 2 0 0 0 0
5 26 2 0 0 0 0
6 29 1 0 0 0 0
6 68 1 0 0 0 0
7 28 2 0 0 0 0
8 31 1 0 0 0 0
8 36 1 0 0 0 0
8 37 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 38 1 0 0 0 0
11 16 1 0 0 0 0
11 17 1 0 0 0 0
12 14 1 0 0 0 0
12 19 1 0 0 0 0
12 39 1 0 0 0 0
13 15 1 0 0 0 0
13 40 1 0 0 0 0
14 15 1 0 0 0 0
14 18 1 0 0 0 0
15 21 1 0 0 0 0
15 41 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
16 44 1 0 0 0 0
17 45 1 0 0 0 0
17 46 1 0 0 0 0
17 47 1 0 0 0 0
18 20 1 0 0 0 0
18 24 1 0 0 0 0
18 48 1 0 0 0 0
19 22 2 0 0 0 0
19 49 1 0 0 0 0
20 23 1 0 0 0 0
20 26 1 0 0 0 0
20 50 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 23 1 0 0 0 0
22 29 1 0 0 0 0
23 55 1 0 0 0 0
23 56 1 0 0 0 0
24 27 2 0 0 0 0
24 57 1 0 0 0 0
25 30 1 0 0 0 0
26 27 1 0 0 0 0
27 32 1 0 0 0 0
28 31 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
30 62 1 0 0 0 0
31 33 1 0 0 0 0
31 63 1 0 0 0 0
32 64 1 0 0 0 0
32 65 1 0 0 0 0
32 66 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 67 1 0 0 0 0
34 69 1 0 0 0 0
34 70 1 0 0 0 0
34 71 1 0 0 0 0
35 72 1 0 0 0 0
35 73 1 0 0 0 0
35 74 1 0 0 0 0
36 75 1 0 0 0 0
36 76 1 0 0 0 0
36 77 1 0 0 0 0
37 78 1 0 0 0 0
37 79 1 0 0 0 0
37 80 1 0 0 0 0
M END
$$$$