ATOM 29
1 C8y C 6.5100 -20.9300
2 C8y C 6.5100 -22.3300
3 C8x C 7.7224 -23.0300
4 C8y C 8.9349 -22.3300
5 C8y C 8.9349 -20.9300
6 C8x C 7.7224 -20.2300
7 C1x C 10.1473 -23.0300
8 C1x C 11.3597 -22.3300
9 N1y N 11.3597 -20.9300
10 C1y C 10.1473 -20.2300
11 C1x C 12.5722 -20.2300
12 C1y C 12.5722 -18.8300
13 C1y C 11.3597 -18.1300
14 C1x C 10.1473 -18.8300
15 C1b C 14.9970 -20.2300
16 N1c N 14.9970 -18.8300
17 C5a C 13.7846 -18.1300
18 C1a C 16.2095 -20.9300
19 C1a C 17.4219 -18.8300
20 C1b C 16.2095 -18.1300
21 O5a O 13.7846 -16.7300
22 O7a O 11.3597 -16.7300
23 O2a O 5.2976 -20.2300
24 C1a C 4.0851 -20.9300
25 C1a C 4.0851 -22.3300
26 O2a O 5.2976 -23.0300
27 C7a C 10.1326 -16.0214
28 C1a C 8.9296 -16.7159
29 O6a O 10.1328 -14.6301
BOND 31
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 15 16 1
18 16 17 1
19 12 17 1
20 15 18 1
21 19 20 1
22 16 20 1
23 17 21 2
24 22 13 1
25 1 23 1
26 23 24 1
27 25 26 1
28 2 26 1
29 22 27 1
30 27 28 1
31 27 29 2
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