ATOM 46
1 O2a O 32.5357 -17.1147
2 C8x C 30.0808 -21.3231
3 C8x C 30.0808 -18.5175
4 C8y C 28.8884 -20.6217
5 C8y C 28.8884 -19.2189
6 O2x O 27.5557 -18.7981
7 C1x C 26.7140 -19.9203
8 O2x O 27.5557 -21.0426
9 C8y C 31.2732 -19.2189
10 C8y C 31.2732 -20.6217
11 C1y C 32.4656 -21.3231
12 C1y C 32.5357 -18.5175
13 C1y C 33.7281 -19.2189
14 C1y C 33.7281 -20.6217
15 O7x O 35.9025 -19.9203
16 O6a O 35.4817 -22.4454
17 C1x C 35.0608 -18.7981
18 C7x C 35.0608 -21.1127
19 C8y C 32.4656 -22.7260
20 C8x C 31.2732 -23.4274
21 C8y C 31.2732 -24.7601
22 C8y C 32.4656 -25.5316
23 C8y C 33.6580 -24.8302
24 C8x C 33.7281 -23.4274
25 O2a O 34.9205 -25.5316
26 O2a O 30.0808 -25.4615
27 C1a C 36.1129 -24.8302
28 C1a C 28.8884 -24.7601
29 O1a O 32.4656 -26.8643
30 C1y C 30.0106 -14.2389
31 C1y C 31.2030 -14.8701
32 C1y C 31.2030 -16.2730
33 O2x O 30.0106 -16.9744
34 O1a O 30.0106 -12.8360
35 O1a O 32.3954 -14.1687
36 C1y C 28.7481 -14.9403
37 C1y C 28.7481 -16.3431
38 C1x C 27.5557 -17.0445
39 O2x O 26.3633 -16.3431
40 C1y C 26.3633 -14.9403
41 O2x O 27.5557 -14.2389
42 C8y C 25.1709 -14.2389
43 S2x S 23.9083 -14.8701
44 C8x C 22.9264 -13.8180
45 C8x C 23.6278 -12.6256
46 C8x C 25.0306 -12.9062
BOND 53
1 15 17 1
2 18 16 2
3 12 1 1 #Up
4 13 17 1
5 14 18 1
6 11 19 1 #Down
7 4 2 2
8 2 10 1
9 9 3 1
10 3 5 2
11 19 20 2
12 20 21 1
13 21 22 2
14 22 23 1
15 23 24 2
16 24 19 1
17 23 25 1
18 21 26 1
19 25 27 1
20 26 28 1
21 4 5 1
22 22 29 1
23 5 6 1
24 6 7 1
25 7 8 1
26 8 4 1
27 9 10 2
28 10 11 1
29 11 14 1
30 13 12 1
31 12 9 1
32 13 14 1
33 18 15 1
34 31 35 1 #Up
35 40 42 1
36 30 31 1
37 31 32 1
38 32 33 1
39 33 37 1
40 30 34 1 #Down
41 36 30 1
42 36 37 1
43 37 38 1
44 38 39 1
45 39 40 1
46 43 44 1
47 40 41 1
48 41 36 1
49 42 43 1
50 44 45 2
51 45 46 1
52 46 42 2
53 1 32 1 #Down
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