BX86UM
-OEChem-04022101292D
70 74 0 1 0 0 0 0 0999 V2000
11.0622 2.4510 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5622 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7942 0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -5.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -3.5490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 0.4510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -4.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 2.4510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1962 1.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5622 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 -0.5490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.9282 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -4.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5622 3.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9282 -1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0622 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5622 5.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -1.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -2.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5622 5.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8395 -3.4502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8923 -3.4385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4174 -4.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0250 -5.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9750 -5.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9841 2.5336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5856 1.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1448 3.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4545 3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5856 1.0586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9841 0.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5991 -0.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3291 -2.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1822 4.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 4.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9422 4.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9422 2.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 1.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1822 2.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4422 4.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6182 -1.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4651 -1.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2382 -0.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1350 -3.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -1.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2522 3.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 0.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7331 -2.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6822 4.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2522 5.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9272 -0.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -3.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8722 5.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 11 1 0 0 0 0
2 18 1 0 0 0 0
3 15 1 0 0 0 0
3 63 1 0 0 0 0
4 18 2 0 0 0 0
5 19 2 0 0 0 0
6 8 1 0 0 0 0
6 19 1 0 0 0 0
6 20 1 0 0 0 0
7 14 1 0 0 0 0
7 17 1 0 0 0 0
7 18 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 38 1 0 0 0 0
9 10 1 0 0 0 0
9 39 1 0 0 0 0
9 40 1 0 0 0 0
10 41 1 0 0 0 0
10 42 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 1 0 0 0
11 16 1 0 0 0 0
12 14 1 0 0 0 0
12 43 1 0 0 0 0
12 44 1 0 0 0 0
13 15 1 0 0 0 0
13 45 1 0 0 0 0
13 46 1 0 0 0 0
14 47 1 0 0 0 0
14 48 1 0 0 0 0
15 21 1 0 0 0 0
15 22 1 0 0 0 0
16 24 1 0 0 0 0
16 25 2 0 0 0 0
17 23 1 0 0 0 0
17 26 1 1 0 0 0
17 49 1 0 0 0 0
19 28 1 0 0 0 0
20 29 2 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 54 1 0 0 0 0
22 55 1 0 0 0 0
22 56 1 0 0 0 0
23 31 2 0 0 0 0
23 32 1 0 0 0 0
24 33 2 0 0 0 0
25 34 1 0 0 0 0
25 57 1 0 0 0 0
26 58 1 0 0 0 0
26 59 1 0 0 0 0
26 60 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
28 61 1 0 0 0 0
29 62 1 0 0 0 0
30 35 2 0 0 0 0
30 36 1 0 0 0 0
31 35 1 0 0 0 0
31 64 1 0 0 0 0
32 36 2 0 0 0 0
32 65 1 0 0 0 0
33 37 1 0 0 0 0
33 66 1 0 0 0 0
34 37 2 0 0 0 0
34 67 1 0 0 0 0
35 68 1 0 0 0 0
36 69 1 0 0 0 0
37 70 1 0 0 0 0
M END
$$$$