ATOM 25
1 C1x C 18.9728 -18.6961
2 C1x C 18.9728 -20.0966
3 N1y N 20.1856 -20.7968
4 C2y C 21.3986 -20.0966
5 N2x N 21.3986 -18.6961
6 C1x C 20.1856 -17.9958
7 C1b C 22.6365 -20.7968
8 O7a O 23.8494 -20.0966
9 C7a C 25.0622 -20.7968
10 C1d C 26.2751 -20.0966
11 C8y C 27.4880 -20.7968
12 C1y C 26.2751 -18.6962
13 C1x C 27.4731 -18.0044
14 C1x C 27.4730 -16.6039
15 C1x C 26.2601 -15.9038
16 C1x C 25.0620 -16.5955
17 C1x C 25.0621 -17.9960
18 C8x C 27.4880 -22.1970
19 C8x C 28.7008 -22.8972
20 C8x C 29.9137 -22.1970
21 C8x C 29.9136 -20.7968
22 C8x C 28.7008 -20.0966
23 O1a O 27.4880 -19.3963
24 O6a O 25.0622 -22.1973
25 C1a C 20.1856 -22.1971
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 10 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 12 17 1
19 11 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 11 22 1
25 10 23 1
26 9 24 2
27 3 25 1
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