ATOM 44
1 C1z C 23.1700 -17.1500
2 C1y C 24.3600 -17.7100
3 C1y C 21.9800 -17.7100
4 O2x O 24.0800 -16.5200
5 C1y C 23.1700 -15.8200
6 C1y C 25.4800 -17.0100
7 C2x C 24.6400 -18.9700
8 C1z C 21.7000 -18.9700
9 C2x C 20.8600 -17.0100
10 C1z C 25.3400 -12.6700
11 C1x C 24.2200 -15.0500
12 C1a C 21.9100 -15.2600
13 C1z C 25.4800 -15.6800
14 O2x O 27.0900 -17.2900
15 C2y C 23.8000 -20.0200
16 C1x C 22.5400 -20.0200
17 C5x C 20.3700 -18.9700
18 O1a O 21.4200 -20.3700
19 C2y C 19.8800 -17.8500
20 O2x O 25.3400 -14.6300
21 C2c C 27.0900 -14.8400
22 O5x O 19.7400 -20.1600
23 C1a C 18.6200 -17.5700
24 C1a C 27.0900 -13.5800
25 C2a C 28.2100 -15.5400
26 C1b C 25.3400 -11.2700
27 C8y C 26.5524 -10.5700
28 C8x C 27.7479 -11.2604
29 C8x C 28.9604 -10.5605
30 C8x C 28.9606 -9.1605
31 C8x C 27.7651 -8.4701
32 C8x C 26.5526 -9.1700
33 C1b C 25.0124 -20.7200
34 O7a O 26.2249 -20.0200
35 C7a C 27.4373 -20.7200
36 C1b C 28.6497 -20.0200
37 C8y C 29.8622 -20.7200
38 C8x C 29.8622 -22.1197
39 C8x C 31.0746 -22.8197
40 C8y C 32.2871 -22.1197
41 C8x C 32.2870 -20.7200
42 C8x C 31.0746 -20.0200
43 O6a O 27.4373 -22.1200
44 O1a O 33.4868 -22.8124
BOND 50
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1 #Down
12 6 13 1
13 6 14 1 #Down
14 7 15 2
15 8 16 1
16 8 17 1
17 8 18 1 #Up
18 9 19 2
19 10 20 1
20 13 21 1 #Up
21 17 22 2
22 19 23 1
23 21 24 1
24 21 25 2
25 10 14 1
26 11 13 1
27 13 20 1 #Down
28 15 16 1
29 17 19 1
30 10 26 1
31 26 27 1
32 27 28 2
33 28 29 1
34 29 30 2
35 30 31 1
36 31 32 2
37 27 32 1
38 15 33 1
39 33 34 1
40 34 35 1
41 35 36 1
42 36 37 1
43 37 38 2
44 38 39 1
45 39 40 2
46 40 41 1
47 41 42 2
48 37 42 1
49 35 43 2
50 40 44 1
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