ATOM 40
1 C1y C 28.0977 -15.5071
2 C8y C 26.8967 -14.8021
3 N1y N 29.3035 -14.8138
4 C8y C 26.9026 -13.4154
5 C8x C 25.7085 -15.5011
6 C1x C 29.3094 -13.4270
7 C1x C 28.1094 -12.7278
8 C8x C 25.7085 -12.7221
9 C8y C 24.5027 -14.8021
10 C8y C 24.5027 -13.4154
11 O1a O 23.2899 -15.4954
12 O1a O 23.2899 -12.7221
13 C1y C 29.2957 -19.9350
14 C1y C 29.2957 -18.5705
15 C1y C 30.4606 -20.6226
16 C2b C 28.1307 -20.6051
17 C2y C 30.4606 -17.8948
18 C1b C 28.1026 -17.8806
19 O2a O 31.4340 -22.1772
20 O2x O 31.6442 -19.9350
21 C2a C 26.9647 -19.9234
22 C2x C 31.6442 -18.5705
23 C7a C 30.4548 -16.5548
24 C1y C 29.7087 -23.0106
25 O7a O 31.6266 -15.8789
26 O6a O 29.2840 -15.8848
27 O2x O 28.5440 -22.3348
28 C1y C 29.7087 -24.3507
29 C1a C 32.7857 -16.5548
30 C1y C 27.3790 -23.0106
31 C1y C 28.5440 -25.0323
32 O1a O 30.8866 -25.0323
33 C1y C 27.3790 -24.3507
34 C1b C 26.2189 -22.3348
35 O1a O 28.5440 -26.3723
36 O1a O 26.2189 -25.0323
37 O1a O 25.1882 -23.2032
38 C5a C 30.4885 -14.1107
39 C1a C 31.6912 -14.7884
40 O5a O 30.5431 -12.7985
BOND 43
1 1 3 1
2 2 4 2
3 2 5 1
4 3 6 1
5 4 7 1
6 4 8 1
7 5 9 2
8 8 10 2
9 9 11 1
10 10 12 1
11 6 7 1
12 9 10 1
13 13 14 1
14 13 15 1
15 13 16 1
16 14 17 1
17 14 18 1
18 15 19 1 #Up
19 15 20 1
20 16 21 2
21 17 22 2
22 17 23 1
23 24 19 1 #Up
24 23 25 1
25 23 26 2
26 24 27 1
27 24 28 1
28 25 29 1
29 27 30 1
30 28 31 1
31 28 32 1 #Down
32 30 33 1
33 30 34 1 #Up
34 31 35 1 #Up
35 33 36 1 #Down
36 34 37 1
37 20 22 1
38 31 33 1
39 18 1 1
40 3 38 1
41 1 2 1
42 38 39 1
43 38 40 2
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