ATOM 28
1 C8y C 32.0443 -18.3791
2 C8x C 32.0602 -21.1938
3 C8x C 30.8435 -20.5006
4 C8x C 30.8355 -19.0932
5 O7a O 32.0371 -16.9712
6 C7a C 30.8276 -16.2709
7 N1c N 29.6109 -16.9712
8 S2a S 28.3942 -16.2709
9 N1c N 27.1774 -16.9712
10 C1b C 25.9608 -16.2709
11 C1b C 24.7440 -16.9712
12 C7a C 23.5272 -16.2709
13 O7a O 22.3175 -16.9712
14 O6a O 30.8276 -14.8632
15 C1a C 29.6109 -18.2386
16 C1c C 27.1774 -18.3791
17 C1a C 28.3975 -19.0863
18 C1a C 25.9573 -19.0863
19 O6a O 23.5272 -14.8632
20 C8y C 33.2760 -20.4869
21 C8y C 33.2616 -19.0839
22 O2x O 34.5917 -18.6317
23 C1z C 35.4306 -19.7596
24 C1x C 34.6150 -20.9043
25 C1a C 36.7684 -19.0451
26 C1a C 36.7106 -20.7668
27 C1b C 21.1038 -16.2725
28 C1a C 19.8915 -16.9742
BOND 29
1 6 7 1
2 7 15 1
3 2 3 2
4 9 16 1
5 7 8 1
6 16 17 1
7 3 4 1
8 16 18 1
9 8 9 1
10 12 19 2
11 4 1 2
12 9 10 1
13 5 1 1
14 10 11 1
15 1 21 1
16 11 12 1
17 5 6 1
18 20 21 2
19 21 22 1
20 22 23 1
21 23 24 1
22 24 20 1
23 12 13 1
24 23 25 1
25 20 2 1
26 23 26 1
27 13 27 1
28 6 14 2
29 27 28 1
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