ATOM 44
1 C1y C 18.2000 -20.5100
2 C1y C 18.2000 -21.9100
3 C1y C 19.3900 -22.6100
4 C1y C 20.6500 -21.9100
5 C1y C 20.6500 -20.5100
6 O2x O 19.3900 -19.8100
7 O1a O 21.8400 -22.6100
8 C8x C 23.0300 -21.9100
9 C8y C 23.0300 -20.5100
10 O2a O 21.8400 -19.8100
11 C8y C 24.2900 -22.6100
12 C8y C 25.4800 -21.9100
13 C8y C 25.4800 -20.5100
14 C8x C 24.2900 -19.8100
15 C5x C 26.6700 -22.6100
16 C1x C 27.9300 -21.9100
17 C1y C 27.9300 -20.5100
18 O2x O 26.6700 -19.8100
19 O5x O 26.6700 -24.0100
20 O1a O 24.2900 -24.0100
21 C1b C 17.0100 -19.8100
22 C8y C 29.1200 -19.8100
23 O1a O 17.0100 -22.6100
24 O1a O 19.3900 -24.0100
25 O2a O 15.8200 -20.5100
26 C1y C 14.6300 -19.8100
27 O2x O 14.6300 -18.4100
28 C1y C 13.3700 -17.7100
29 C1y C 12.1800 -18.4100
30 C1y C 12.1800 -19.8100
31 C1y C 13.3700 -20.5100
32 C8x C 30.3800 -20.5100
33 C8x C 31.5700 -19.8100
34 C8y C 31.5700 -18.4100
35 C8y C 30.3800 -17.7100
36 C8x C 29.1200 -18.4100
37 O2a O 30.3800 -16.3100
38 O2a O 32.7600 -17.7100
39 C1a C 34.0200 -18.4100
40 O1a O 10.9900 -20.5100
41 O1a O 13.3700 -21.9100
42 C1a C 13.3700 -16.3100
43 O1a O 10.9900 -17.7100
44 C1a C 31.5924 -15.6100
BOND 48
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 8 9 1
8 9 10 1
9 5 10 1 #Up
10 8 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 9 14 2
15 12 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 13 18 1
20 15 19 2
21 11 20 1
22 1 21 1 #Up
23 17 22 1 #Down
24 4 7 1 #Down
25 2 23 1 #Down
26 3 24 1 #Up
27 21 25 1
28 26 25 1 #Up
29 26 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 26 31 1
35 22 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 22 36 1
41 35 37 1
42 34 38 1
43 38 39 1
44 30 40 1 #Down
45 31 41 1 #Down
46 28 42 1 #Down
47 29 43 1 #Up
48 37 44 1
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