BQ7M5N
-OEChem-04022102172D
52 55 0 1 0 0 0 0 0999 V2000
11.2951 -1.3019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4915 -1.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1141 0.4207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2128 -1.4634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.2390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.5785 -0.7097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7128 -0.5974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1301 -0.2610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.0437 0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0922 0.6286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7073 -0.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6141 1.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2347 -1.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1967 1.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2832 2.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8354 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0505 -1.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6102 -0.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5453 0.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7337 0.6827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9318 0.0297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6626 0.7139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8656 0.7139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1992 1.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1125 0.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4650 -2.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8032 1.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3883 2.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5932 2.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7816 2.3943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 1.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 1.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -0.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 -0.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 2.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 2.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 2.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 15 2 0 0 0 0
3 18 2 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
5 8 1 0 0 0 0
5 15 1 0 0 0 0
5 38 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
7 24 3 0 0 0 0
8 10 1 0 0 0 0
8 12 1 1 0 0 0
8 29 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 6 0 0 0
9 15 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 16 1 0 0 0 0
11 24 1 1 0 0 0
11 33 1 0 0 0 0
13 18 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 17 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
16 17 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 41 1 0 0 0 0
17 42 1 0 0 0 0
19 21 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
20 22 1 0 0 0 0
20 45 1 0 0 0 0
20 46 1 0 0 0 0
21 23 1 0 0 0 0
21 47 1 0 0 0 0
21 48 1 0 0 0 0
22 23 1 0 0 0 0
22 25 2 0 0 0 0
23 26 2 0 0 0 0
25 27 1 0 0 0 0
25 49 1 0 0 0 0
26 28 1 0 0 0 0
26 50 1 0 0 0 0
27 28 2 0 0 0 0
27 51 1 0 0 0 0
28 52 1 0 0 0 0
M END
$$$$