ATOM 48
1 C1z C 22.9057 -17.6060
2 C1y C 22.9057 -18.9167
3 C1y C 23.8536 -16.8512
4 C1y C 22.8882 -16.3010
5 C1y C 21.7821 -16.9506
6 C1z C 21.7821 -19.5663
7 C1y C 23.8887 -19.6950
8 C1y C 25.0591 -17.1203
9 C1x C 23.7425 -15.6222
10 C1y C 25.1235 -19.3966
11 N1y N 21.3024 -18.3433
12 C1x C 20.6410 -17.6060
13 O2a O 21.7821 -15.6456
14 C1x C 21.3138 -20.7015
15 C1y C 20.6410 -18.9167
16 C1b C 22.2912 -20.7015
17 O2a O 23.6079 -20.9765
18 C1z C 25.6502 -18.2087
19 C1y C 25.6911 -16.0670
20 C1z C 24.8777 -15.1365
21 C1b C 20.1730 -17.6937
22 C1a C 20.6470 -14.9902
23 O1a O 19.5117 -19.5663
24 O2a O 22.2795 -22.0124
25 C1a C 25.0052 -22.1402
26 C1y C 27.1716 -17.5006
27 O7a O 26.7736 -18.8582
28 O7a O 27.9147 -14.9611
29 C1y C 26.1125 -15.1308
30 O1a O 24.8028 -13.8552
31 C1a C 19.0437 -18.3433
32 C1a C 20.9872 -22.5798
33 O1a O 28.3126 -18.1385
34 C7a C 26.7736 -20.1689
35 C7a C 28.9856 -15.5696
36 O2a O 26.8848 -13.8674
37 C1a C 27.9089 -20.8245
38 O6a O 25.6385 -20.8185
39 C8y C 30.0447 -14.9611
40 O6a O 28.9856 -16.7984
41 C1a C 26.3757 -12.5921
42 C8x C 31.1098 -15.5696
43 C8x C 30.0447 -13.7321
44 C8x C 32.1806 -14.9611
45 C8x C 31.1098 -13.1178
46 C8y C 32.1748 -13.7321
47 O2a O 33.2222 -13.1178
48 C1a C 34.5614 -13.7263
BOND 54
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 10 4 1 #Down
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1 #Down
14 6 15 1
15 6 16 1 #Up
16 7 17 1 #Down
17 8 18 1
18 8 19 1
19 9 20 1
20 11 21 1
21 13 22 1
22 15 23 1 #Down
23 16 24 1
24 17 25 1
25 18 26 1
26 18 27 1 #Up
27 19 28 1 #Down
28 20 29 1
29 20 30 1 #Up
30 21 31 1
31 24 32 1
32 26 33 1 #Down
33 27 34 1
34 28 35 1
35 29 36 1 #Up
36 34 37 1
37 34 38 2
38 35 39 1
39 35 40 2
40 36 41 1
41 39 42 2
42 39 43 1
43 42 44 1
44 43 45 2
45 44 46 2
46 46 47 1
47 47 48 1
48 7 10 1
49 10 18 1
50 11 14 1
51 12 15 1
52 19 20 1
53 26 29 1
54 45 46 1
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