L3P8SX
-OEChem-05032300542D
66 71 0 1 0 0 0 0 0999 V2000
4.8443 4.2843 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
7.9046 -3.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8971 0.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7457 -2.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1335 -2.0946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8272 -1.1489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4399 -1.7371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6292 0.4361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5499 -3.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9505 2.5210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9366 -2.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4366 -3.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4366 -3.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1276 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4366 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4366 -1.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6967 -2.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6309 -0.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3909 -2.0461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.5988 -3.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8589 -4.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3589 -2.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1341 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8589 -4.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1679 -3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7623 0.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9262 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0851 -1.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7606 1.9346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6693 0.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8283 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5686 2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6204 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2579 3.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2579 3.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5443 -4.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0192 -3.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8540 -3.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3290 -4.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0431 -1.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3718 -0.5295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7683 -2.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3110 -1.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2620 -1.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1656 0.7470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9792 -3.0459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5125 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2525 -4.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9237 -4.9009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7738 -2.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9440 -2.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7941 -4.9009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4654 -4.4132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7343 -3.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4779 -2.7963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3365 -0.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2140 -2.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5404 0.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4179 -1.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1585 2.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0811 0.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8926 3.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8074 2.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4107 2.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1926 1.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 35 1 0 0 0 0
2 17 2 0 0 0 0
3 26 2 0 0 0 0
4 11 1 0 0 0 0
4 15 1 0 0 0 0
4 17 1 0 0 0 0
5 6 1 0 0 0 0
5 14 1 0 0 0 0
5 43 1 0 0 0 0
6 18 2 0 0 0 0
7 17 1 0 0 0 0
19 7 1 1 0 0 0
7 44 1 0 0 0 0
8 18 1 0 0 0 0
8 26 1 0 0 0 0
8 46 1 0 0 0 0
9 20 1 0 0 0 0
9 21 1 0 0 0 0
9 22 1 0 0 0 0
10 29 1 0 0 0 0
10 34 1 0 0 0 0
10 36 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
12 13 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 39 1 0 0 0 0
13 40 1 0 0 0 0
14 16 2 0 0 0 0
15 16 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
16 18 1 0 0 0 0
19 20 1 0 0 0 0
19 23 1 0 0 0 0
19 45 1 0 0 0 0
20 47 1 0 0 0 0
20 48 1 0 0 0 0
21 24 1 0 0 0 0
21 49 1 0 0 0 0
21 50 1 0 0 0 0
22 25 1 0 0 0 0
22 51 1 0 0 0 0
22 52 1 0 0 0 0
23 27 2 0 0 0 0
23 28 1 0 0 0 0
24 25 1 0 0 0 0
24 53 1 0 0 0 0
24 54 1 0 0 0 0
25 55 1 0 0 0 0
25 56 1 0 0 0 0
26 29 1 0 0 0 0
27 30 1 0 0 0 0
27 57 1 0 0 0 0
28 31 2 0 0 0 0
28 58 1 0 0 0 0
29 32 2 0 0 0 0
30 33 2 0 0 0 0
30 59 1 0 0 0 0
31 33 1 0 0 0 0
31 60 1 0 0 0 0
32 35 1 0 0 0 0
32 61 1 0 0 0 0
33 62 1 0 0 0 0
34 35 2 0 0 0 0
34 63 1 0 0 0 0
36 64 1 0 0 0 0
36 65 1 0 0 0 0
36 66 1 0 0 0 0
M END
$$$$