ATOM 41
1 C1z C 24.9900 -20.6500
2 C1z C 24.9900 -22.0500
3 C1y C 26.1800 -22.7500
4 C2y C 27.4400 -22.0500
5 C1x C 27.4400 -20.6500
6 C1y C 26.1800 -19.9500
7 C2x C 28.6300 -22.7500
8 C1y C 29.8200 -22.0500
9 C1y C 29.8200 -20.6500
10 C1y C 28.6300 -19.9500
11 C2x C 23.6600 -20.2300
12 C2y C 22.8200 -21.3500
13 C1y C 23.6600 -22.4700
14 O7a O 23.2400 -23.8000
15 C7a C 21.8400 -23.8000
16 O6a O 21.1400 -22.6100
17 C8y C 21.2100 -25.0600
18 C1a C 21.4200 -21.3500
19 C1a C 25.8300 -18.8300
20 O1a O 24.8500 -23.4500
21 O1a O 26.1800 -24.1500
22 C1b C 27.4400 -23.4500
23 O7a O 28.6300 -24.1500
24 C1z C 29.8200 -19.2500
25 C1a C 29.8200 -17.8500
26 C1a C 31.0100 -18.5500
27 C5x C 24.9900 -15.3300
28 O5x O 24.5700 -14.0000
29 C7a C 28.6186 -25.5500
30 O6a O 27.4092 -26.2352
31 C8y C 29.8338 -26.2648
32 C8x C 29.8224 -27.6500
33 C8x C 31.0290 -28.3600
34 C8x C 32.2472 -27.6700
35 C8x C 32.2586 -26.2848
36 C8x C 31.0519 -25.5748
37 C8x C 19.8102 -25.0812
38 C8x C 19.1286 -26.3040
39 C8x C 19.8468 -27.5058
40 C8x C 21.2467 -27.4846
41 C8x C 21.9282 -26.2617
BOND 46
1 1 2 1
2 2 3 1
3 3 4 1
4 5 6 1
5 1 6 1
6 4 7 2
7 7 8 1
8 8 9 1
9 9 10 1
10 5 10 1
11 1 11 1
12 11 12 2
13 12 13 1
14 2 13 1
15 13 14 1 #Up
16 14 15 1
17 15 16 2
18 15 17 1
19 12 18 1
20 6 19 1 #Down
21 2 20 1 #Up
22 3 21 1 #Up
23 4 22 1
24 22 23 1
25 10 24 1 #Up
26 24 25 1
27 24 26 1
28 9 24 1 #Up
29 1 27 1 #Down
30 8 27 1 #Up
31 27 28 2
32 23 29 1
33 29 30 2
34 29 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 31 36 1
41 17 37 2
42 37 38 1
43 38 39 2
44 39 40 1
45 40 41 2
46 17 41 1
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