ATOM 41
1 C8y C 28.2690 -28.6767
2 C8y C 27.0548 -27.9761
3 C8y C 28.2573 -30.0837
4 O2x O 29.4834 -27.9761
5 C1y C 27.0898 -26.5750
6 C8y C 25.8346 -28.6767
7 C8y C 27.0548 -30.7785
8 C8y C 29.4718 -30.7842
9 C8y C 30.6919 -28.6884
10 C1y C 25.8987 -25.8453
11 O2x O 28.3157 -25.9152
12 C8y C 25.8346 -30.0837
13 O1a O 24.6203 -27.9702
14 O1a O 27.0548 -32.1854
15 C8x C 30.6860 -30.0953
16 O5x O 29.4658 -32.1912
17 C8y C 31.9121 -27.9878
18 C1y C 25.9338 -24.4558
19 O1a O 24.6728 -26.5166
20 C1x C 28.3567 -24.5142
21 C1y C 24.6261 -30.7785
22 C8x C 31.9121 -26.5867
23 C8x C 33.1206 -28.7001
24 C1y C 27.1656 -23.7843
25 O1a O 24.7429 -23.7259
26 O2x O 23.4176 -30.0837
27 C1y C 24.6261 -32.1796
28 C8y C 33.1321 -25.8978
29 C8x C 34.3406 -28.0053
30 O1a O 27.2007 -22.3891
31 C1y C 22.2033 -30.7785
32 C1y C 23.4176 -32.8743
33 O1a O 25.8346 -32.8743
34 C8y C 34.3466 -26.5983
35 O1a O 33.1381 -24.4966
36 C1y C 22.2033 -32.1796
37 C1b C 20.9948 -30.0837
38 O1a O 23.4176 -34.2695
39 O1a O 35.5667 -25.9037
40 O1a O 20.9948 -32.8743
41 O1a O 19.7863 -30.7785
BOND 45
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Down
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 10 19 1 #Down
19 11 20 1
20 21 12 1 #Up
21 17 22 1
22 17 23 2
23 18 24 1
24 18 25 1 #Up
25 21 26 1
26 21 27 1
27 22 28 2
28 23 29 1
29 24 30 1 #Up
30 26 31 1
31 27 32 1
32 27 33 1 #Down
33 28 34 1
34 28 35 1
35 31 36 1
36 31 37 1 #Up
37 32 38 1 #Up
38 34 39 1
39 36 40 1 #Down
40 37 41 1
41 7 12 2
42 9 15 2
43 20 24 1
44 29 34 2
45 32 36 1
| 
