BM3DR8
-OEChem-04012115292D
52 54 0 1 0 0 0 0 0999 V2000
10.4406 -0.3984 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5979 3.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2046 1.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5685 1.7271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5090 -2.2064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 0.6444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 -0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3606 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9593 1.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 0.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7024 2.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4820 2.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2910 1.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0136 1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9091 0.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9271 1.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7181 -0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7362 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6316 0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6135 -1.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7037 0.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -0.8293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -0.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -0.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -0.8293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3606 0.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9772 0.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 2.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4223 1.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 0.9544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0560 1.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 0.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -1.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9280 2.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1353 2.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -3.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.8416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -3.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8450 1.1154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6377 1.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3427 0.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9919 2.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3025 1.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
2 16 2 0 0 0 0
3 19 1 0 0 0 0
3 20 1 0 0 0 0
4 11 1 0 0 0 0
4 16 1 0 0 0 0
4 17 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
5 18 1 0 0 0 0
6 26 3 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
7 13 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
8 27 1 0 0 0 0
9 14 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 15 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 16 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
17 19 1 0 0 0 0
17 43 1 0 0 0 0
17 44 1 0 0 0 0
18 45 1 0 0 0 0
18 46 1 0 0 0 0
18 47 1 0 0 0 0
19 48 1 0 0 0 0
19 49 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 50 1 0 0 0 0
22 24 2 0 0 0 0
22 51 1 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
24 25 1 0 0 0 0
24 52 1 0 0 0 0
M END
$$$$