B82JGB
-OEChem-04022105062D
78 81 0 1 0 0 0 0 0999 V2000
14.1954 4.8539 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.1893 11.0960 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.8962 1.7320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5302 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.8962 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.2988 5.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2988 8.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1283 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9895 6.6733 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.7988 6.1733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7988 7.9053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7988 6.1733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9895 5.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2076 7.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2076 5.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8904 7.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2327 7.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2327 5.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7988 6.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7167 6.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9652 8.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2988 7.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2988 7.0393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2152 7.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2152 8.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7988 7.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 7.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 8.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6176 6.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8661 8.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6419 5.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1389 8.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 6.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 8.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4439 6.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9409 9.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4682 4.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2136 9.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3691 5.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1146 10.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 7.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 8.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3962 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2585 5.1147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5939 5.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6924 7.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9386 7.8554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9386 4.4912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6924 4.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8441 6.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2327 7.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6282 7.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6282 5.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2327 4.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8814 7.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1912 7.6499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6788 7.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9642 6.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7526 6.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7526 9.0193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9642 9.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6640 7.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3784 8.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0833 5.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5803 8.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1088 5.6363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1788 6.1733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 6.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 9.5253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0025 6.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4995 9.8044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4218 4.3650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7014 10.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 8.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6652 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 40 1 0 0 0 0
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44 45 1 0 0 0 0
M END
$$$$