ATOM 44
1 C1y C 27.3336 -28.7506
2 C1y C 27.3336 -30.1321
3 C1x C 28.5299 -30.8228
4 C1y C 29.7263 -30.1321
5 C1z C 29.7263 -28.7506
6 C1x C 28.5299 -28.0599
7 C1y C 30.9226 -30.8228
8 C1x C 32.1189 -30.1321
9 C1y C 32.1189 -28.7506
10 C1y C 30.9226 -28.0599
11 C1y C 33.3153 -28.0599
12 C1z C 33.3153 -26.6785
13 C1x C 32.1189 -25.9878
14 C1x C 30.9226 -26.6785
15 C1x C 35.7080 -28.0599
16 C1x C 35.7080 -26.6785
17 C1y C 34.5117 -25.9878
18 O2a O 30.9226 -32.2042
19 O2a O 26.1372 -30.8228
20 O2a O 26.1372 -28.0599
21 S4a S 24.9409 -27.3692
22 S4a S 24.9409 -31.5135
23 O1d O 25.6316 -26.1729
24 O1d O 24.2502 -28.5655
25 O1d O 24.2502 -30.3172
26 O1d O 25.6316 -32.7098
27 O1d O 23.7261 -32.2151
28 O1d O 23.7446 -26.6785
29 S4a S 30.9226 -33.5856
30 O1d O 29.5412 -33.5856
31 O1d O 32.3040 -33.5856
32 O1d O 30.9226 -34.9671
33 C1a C 29.7263 -27.3692
34 C1a C 33.3153 -25.2971
35 C1c C 34.5117 -24.6064
36 C1b C 35.7120 -23.9134
37 C1b C 36.8936 -24.5957
38 C1a C 33.3193 -23.9179
39 C1c C 38.0642 -23.9199
40 C1d C 39.2402 -24.5990
41 C1a C 38.0644 -22.5344
42 C1a C 40.4365 -25.2898
43 C1a C 38.5399 -25.8122
44 C1a C 39.9209 -23.4196
BOND 47
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 7 18 1 #Down
22 2 19 1 #Down
23 1 20 1 #Up
24 20 21 1
25 19 22 1
26 21 23 2
27 21 24 2
28 22 25 2
29 22 26 2
30 22 27 1
31 21 28 1
32 18 29 1
33 29 30 2
34 29 31 2
35 29 32 1
36 5 33 1 #Up
37 12 34 1 #Up
38 17 35 1
39 35 36 1
40 36 37 1
41 35 38 1 #Down
42 37 39 1
43 39 40 1
44 39 41 1 #Down
45 40 42 1
46 40 43 1
47 40 44 1
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