ATOM 29
1 C1y C 24.2326 -17.2720
2 C1z C 25.4506 -16.5784
3 C1z C 24.2267 -18.6707
4 C1x C 23.0203 -16.5727
5 C1y C 26.6570 -17.2777
6 C1b C 25.0776 -15.2147
7 C4a C 26.4354 -15.5703
8 C1x C 25.4331 -19.3817
9 C1z C 23.0203 -19.3758
10 C1a C 24.2093 -19.9235
11 C1x C 21.8025 -17.2720
12 C1y C 26.6511 -18.6823
13 C1a C 27.8750 -16.5901
14 C1c C 25.7653 -14.0026
15 O4a O 27.8400 -15.1503
16 C1y C 21.8025 -18.6707
17 C1a C 23.7080 -20.9264
18 O1a O 22.1639 -21.0607
19 O7a O 27.8634 -19.3874
20 C8y C 25.0017 -12.8605
21 O1a O 27.1698 -14.0026
22 O1a O 20.5902 -19.3758
23 C7a C 29.0697 -18.6823
24 C8x C 23.6732 -12.8662
25 C8x C 25.4273 -11.4384
26 C1a C 30.2761 -19.3817
27 O6a O 29.0638 -17.7037
28 C8x C 23.1662 -11.5608
29 O2x O 24.2500 -10.6749
BOND 31
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 2 7 1 #Down
7 3 8 1
8 3 9 1
9 3 10 1 #Down
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1
14 7 15 2
15 9 16 1
16 9 17 1 #Down
17 9 18 1 #Up
18 12 19 1 #Down
19 14 20 1
20 14 21 1 #Down
21 16 22 1 #Down
22 19 23 1
23 20 24 1
24 20 25 2
25 23 26 1
26 23 27 2
27 24 28 2
28 25 29 1
29 8 12 1
30 11 16 1
31 28 29 1
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