ATOM 28
1 C8y C 28.8834 -15.2826
2 C1y C 28.9125 -16.6782
3 C8y C 30.0104 -14.5411
4 C8y C 27.6630 -14.6112
5 C1y C 27.7155 -17.4023
6 O7a O 30.1328 -17.3555
7 C8y C 30.0511 -13.1456
8 O7x O 31.3065 -15.2126
9 O2x O 26.4660 -15.3293
10 C8x C 27.6222 -13.2098
11 C1z C 26.4251 -16.7249
12 O7a O 27.7448 -18.7977
13 C7a C 30.0921 -18.7510
14 C8x C 28.8132 -12.4800
15 C8x C 31.2423 -12.4273
16 C8y C 32.4977 -14.4827
17 C1a C 25.2981 -17.4490
18 C1a C 25.2573 -15.9367
19 C7a C 26.5478 -19.5218
20 C1a C 31.3883 -19.4283
21 O6a O 28.9651 -19.4750
22 C8x C 32.4684 -13.0930
23 O6a O 33.7296 -15.1600
24 C1b C 25.3274 -18.8445
25 O6a O 26.5069 -20.9172
26 C1c C 24.1304 -19.5685
27 C1a C 22.9041 -18.8912
28 C1a C 24.1595 -20.9640
BOND 30
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1 #Up
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1
15 8 16 1
16 11 17 1
17 11 18 1
18 12 19 1
19 13 20 1
20 13 21 2
21 15 22 2
22 16 23 2
23 19 24 1
24 19 25 2
25 24 26 1
26 26 27 1
27 26 28 1
28 9 11 1
29 10 14 2
30 16 22 1
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