ATOM 48
1 C1z C 29.1393 -14.9087
2 C1z C 27.9935 -15.5809
3 C1z C 29.1102 -13.5758
4 C1y C 30.3844 -15.3530
5 O2x O 29.3148 -16.2124
6 C1y C 26.8359 -14.9087
7 C1y C 27.9935 -16.9254
8 C1a C 28.6118 -14.2305
9 C1y C 30.4429 -13.2133
10 C1y C 28.0169 -12.8977
11 C1a C 29.1685 -12.2429
12 C1x C 31.1971 -14.2948
13 C1z C 25.6785 -15.5634
14 C5x C 26.8476 -13.5582
15 C1x C 26.8242 -17.5861
16 O1a O 29.1627 -17.5978
17 C8y C 30.9047 -11.9096
18 O1a O 28.0286 -11.5588
19 C1y C 25.6726 -16.9137
20 C1y C 24.5092 -14.9027
21 C1x C 25.6609 -14.2246
22 O5x O 25.6960 -12.8800
23 C8x C 30.1272 -10.7580
24 C8x C 32.2376 -11.5063
25 C1z C 24.5092 -17.5802
26 C1y C 23.3401 -15.5634
27 O1a O 24.5035 -13.6865
28 O2x O 24.0533 -16.0837
29 C8x C 30.9691 -9.6648
30 O2x O 32.2727 -10.1207
31 C1y C 23.3401 -16.9137
32 C1y C 24.0767 -18.8196
33 C1a C 25.3559 -19.0590
34 O7a O 22.1768 -14.9027
35 O7a O 22.1768 -17.5861
36 O7a O 22.6620 -19.1704
37 C7a C 22.1651 -13.5173
38 C7a C 20.9724 -16.8905
39 C7a C 21.9721 -20.3629
40 C1a C 20.9490 -12.8392
41 O6a O 23.3518 -12.8158
42 C1a C 19.7740 -17.5802
43 O6a O 20.9783 -15.5049
44 C1c C 20.5925 -20.3629
45 O6a O 22.6620 -21.5673
46 C1b C 19.8967 -21.5673
47 C1a C 19.9027 -19.1645
48 C1a C 18.5230 -21.5673
BOND 54
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 3 9 1
9 3 10 1
10 3 11 1 #Down
11 4 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 7 16 1 #Down
16 9 17 1 #Down
17 10 18 1 #Up
18 13 19 1
19 13 20 1
20 13 21 1 #Up
21 14 22 2
22 17 23 1
23 17 24 2
24 19 25 1
25 20 26 1
26 20 27 1 #Down
27 21 28 1
28 23 29 2
29 24 30 1
30 25 31 1
31 25 32 1 #Up
32 25 33 1 #Down
33 26 34 1 #Down
34 31 35 1 #Down
35 32 36 1
36 34 37 1
37 35 38 1
38 36 39 1
39 37 40 1
40 37 41 2
41 38 42 1
42 38 43 2
43 39 44 1
44 39 45 2
45 44 46 1
46 44 47 1 #Up
47 46 48 1
48 4 5 1 #Up
49 9 12 1
50 10 14 1
51 15 19 1
52 26 31 1
53 28 32 1
54 29 30 1
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