ATOM 45
1 C1y C 28.6095 -18.8223
2 C1y C 27.4090 -18.1230
3 O2a O 28.6095 -20.2267
4 C1y C 29.8215 -18.1288
5 C1y C 27.4090 -16.7302
6 O7a O 26.1969 -18.8164
7 C1y C 27.3975 -20.9202
8 C1y C 29.8274 -16.7302
9 O1a O 31.0395 -18.8281
10 O2x O 28.6152 -16.0251
11 C1b C 26.1969 -16.0192
12 C7a C 24.9849 -18.1171
13 O2x O 26.1795 -20.2150
14 C1y C 27.4032 -22.3246
15 O2a O 31.0395 -16.0251
16 O1a O 26.1969 -14.6208
17 C2b C 23.7727 -18.8107
18 O6a O 24.9849 -16.7185
19 C1y C 24.9673 -20.9260
20 C1y C 26.1853 -23.0239
21 O1a O 28.6095 -23.0239
22 C1b C 32.2517 -16.7244
23 C2b C 22.5607 -18.1114
24 C1y C 24.9673 -22.3303
25 C1b C 23.7494 -20.2209
26 O1a O 26.1853 -24.4282
27 C1b C 33.4637 -16.0192
28 C8y C 21.3544 -18.7990
29 O1a O 23.7553 -23.0296
30 O1a O 22.5373 -20.9260
31 C8y C 34.6759 -16.7185
32 C8x C 20.1481 -18.1055
33 C8x C 21.3544 -20.2034
34 C8x C 35.8937 -16.0192
35 C8x C 34.6643 -18.1171
36 C8y C 18.9301 -18.7990
37 C8x C 20.1481 -20.9086
38 C8y C 37.1000 -16.7302
39 C8x C 35.8763 -18.8223
40 C8y C 18.9301 -20.2034
41 O1a O 17.7238 -18.1055
42 C8y C 37.0942 -18.1288
43 O1a O 38.3122 -16.0310
44 O1a O 17.7238 -20.9086
45 O1a O 38.3005 -18.8340
BOND 48
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1 #Down
6 7 3 1 #Up
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1
13 7 14 1
14 8 15 1 #Up
15 11 16 1
16 12 17 1
17 12 18 2
18 13 19 1
19 14 20 1
20 14 21 1 #Down
21 15 22 1
22 17 23 2
23 19 24 1
24 19 25 1 #Up
25 20 26 1 #Up
26 22 27 1
27 23 28 1
28 24 29 1 #Down
29 25 30 1
30 27 31 1
31 28 32 1
32 28 33 2
33 31 34 2
34 31 35 1
35 32 36 2
36 33 37 1
37 34 38 1
38 35 39 2
39 36 40 1
40 36 41 1
41 38 42 2
42 38 43 1
43 40 44 1
44 42 45 1
45 8 10 1
46 20 24 1
47 37 40 2
48 39 42 1
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