ATOM 26
1 C7a C 29.7458 -20.7251
2 O7a O 30.9563 -20.0284
3 O6a O 29.7529 -22.1255
4 C1a C 32.1738 -20.7251
5 C8y C 27.2967 -17.9451
6 C8x C 28.5141 -18.6419
7 C8y C 28.5221 -20.0421
8 C8y C 27.3126 -20.7456
9 C8x C 26.0951 -20.0559
10 C8x C 26.0872 -18.6557
11 N5x N 24.7358 -16.8121
12 C8y C 24.7358 -14.0112
13 C8y C 23.5261 -14.7148
14 C8y C 23.5322 -16.1154
15 C8x C 22.3284 -16.8172
16 C8x C 21.1116 -16.1257
17 C8x C 21.1055 -14.7252
18 C8x C 22.3164 -14.0163
19 C8y C 25.9526 -16.1154
20 N4y N 25.9558 -14.7145
21 C1x C 27.2894 -14.2798
22 C1x C 28.1130 -15.4165
23 C1y C 27.2842 -16.5493
24 O5x O 24.6791 -12.6106
25 N1b N 27.3249 -22.1326
26 C1a C 26.1058 -22.8507
BOND 29
1 1 3 2
2 5 6 2
3 6 7 1
4 7 8 2
5 8 9 1
6 13 14 2
7 14 15 1
8 15 16 2
9 16 17 1
10 17 18 2
11 18 13 1
12 9 10 2
13 10 5 1
14 1 2 1
15 2 4 1
16 19 11 2
17 19 20 1
18 20 21 1
19 21 22 1
20 22 23 1
21 23 19 1
22 23 5 1
23 11 14 1
24 13 12 1
25 12 24 2
26 7 1 1
27 12 20 1
28 8 25 1
29 25 26 1
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