ATOM 27
1 C1y C 25.4863 -19.0744
2 C1z C 25.4748 -17.7974
3 C1y C 26.6176 -19.9023
4 C1z C 24.3553 -19.9023
5 C1y C 26.6176 -17.1094
6 C1x C 24.2036 -17.1035
7 C1a C 25.3932 -16.4038
8 C2x C 27.8071 -19.2026
9 O7x O 26.1803 -21.2260
10 C7x C 24.7866 -21.2260
11 C1y C 22.9909 -19.1968
12 C1a C 23.2007 -20.8818
13 C2y C 27.8129 -17.8148
14 C1x C 26.6292 -15.7157
15 C1x C 22.9909 -17.7974
16 O6a O 23.7954 -22.2113
17 O1a O 21.7780 -19.8149
18 C1y C 29.0199 -17.1211
19 C1x C 27.8362 -15.0336
20 C1z C 29.0315 -15.7391
21 O2x O 30.3319 -17.5643
22 C1y C 30.3552 -15.3194
23 C1a C 29.0199 -14.3398
24 C1x C 31.1597 -16.4504
25 N1c N 30.4076 -13.8966
26 C1a C 31.5737 -13.2436
27 C1a C 29.1482 -13.2319
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 4 12 1 #Down
12 5 13 1
13 5 14 1
14 6 15 1
15 10 16 2
16 11 17 1 #Up
17 13 18 1
18 14 19 1
19 18 20 1
20 18 21 1
21 20 22 1
22 20 23 1
23 21 24 1
24 22 25 1
25 25 26 1
26 25 27 1
27 8 13 2
28 9 10 1
29 11 15 1
30 19 20 1
31 22 24 1
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