BY67CG
-OEChem-04022104552D
54 56 0 0 0 0 0 0 0999 V2000
9.8238 -3.4711 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0637 0.8076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8238 -4.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9061 2.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5048 3.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8238 -3.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8238 -3.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7579 2.4586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8238 0.5289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6328 1.1166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.7811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5431 -0.3866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7524 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 3.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3511 1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7414 2.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3402 1.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1591 3.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3238 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3347 1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1537 3.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 3.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3566 1.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7360 2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0147 1.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8238 -0.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3238 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6898 -0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9577 -0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8238 -2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6898 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9577 -1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9115 2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 3.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9499 0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7273 3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9992 3.8636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3079 0.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9527 1.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0880 1.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7947 3.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6991 1.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4058 4.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9881 3.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6183 2.8913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3465 2.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3999 2.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7550 1.5905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2267 -0.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4208 -0.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2267 -2.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4208 -2.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3607 -4.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2705 3.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 30 1 0 0 0 0
2 25 2 0 0 0 0
3 53 1 0 0 0 0
4 33 1 0 0 0 0
4 54 1 0 0 0 0
5 33 2 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
9 10 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 27 2 0 0 0 0
11 34 3 0 0 0 0
12 35 3 0 0 0 0
13 17 2 0 0 0 0
13 18 1 0 0 0 0
14 22 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 23 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 20 2 0 0 0 0
16 21 1 0 0 0 0
16 24 1 0 0 0 0
17 20 1 0 0 0 0
17 40 1 0 0 0 0
18 21 2 0 0 0 0
18 41 1 0 0 0 0
19 24 2 0 0 0 0
19 25 1 0 0 0 0
19 27 1 0 0 0 0
20 42 1 0 0 0 0
21 43 1 0 0 0 0
22 34 1 0 0 0 0
22 45 1 0 0 0 0
22 46 1 0 0 0 0
23 35 1 0 0 0 0
23 47 1 0 0 0 0
23 48 1 0 0 0 0
24 44 1 0 0 0 0
26 28 2 0 0 0 0
26 29 1 0 0 0 0
27 33 1 0 0 0 0
28 31 1 0 0 0 0
28 49 1 0 0 0 0
29 32 2 0 0 0 0
29 50 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
31 51 1 0 0 0 0
32 52 1 0 0 0 0
M END
$$$$