ATOM 33
1 C2x C 18.9700 -26.5300
2 C5x C 18.9700 -27.9300
3 C2x C 20.1824 -28.6300
4 C2y C 21.3949 -27.9300
5 C1z C 21.3949 -26.5300
6 C2x C 20.1824 -25.8300
7 C1x C 22.6073 -28.6300
8 C1x C 23.8197 -27.9300
9 C1y C 23.8197 -26.5300
10 C1z C 22.6073 -25.8300
11 C1y C 25.0322 -25.8300
12 C1z C 25.0322 -24.4300
13 C1x C 23.8197 -23.7300
14 C1y C 22.6073 -24.4300
15 C1x C 27.4570 -25.8300
16 C1y C 27.4570 -24.4300
17 C1z C 26.2446 -23.7300
18 O5x O 17.7576 -28.6300
19 C1a C 21.3949 -25.1302
20 O1a O 21.3969 -23.7312
21 C1a C 25.0322 -23.0300
22 C5a C 26.2446 -21.9800
23 O7a O 28.0170 -22.6800
24 C7a C 29.4170 -22.6800
25 O6a O 30.1127 -23.8850
26 C1b C 30.1127 -21.4750
27 C1a C 31.4999 -21.4751
28 O5a O 27.4611 -21.2777
29 C1b C 25.0362 -21.2823
30 O2a O 23.8427 -21.9716
31 C1a C 22.6544 -21.2855
32 X F 22.6073 -27.2300
33 C1a C 28.6566 -23.7373
BOND 36
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 2
22 5 19 1 #Up
23 14 20 1 #Up
24 12 21 1 #Up
25 17 22 1 #Up
26 17 23 1 #Down
27 23 24 1
28 24 25 2
29 24 26 1
30 26 27 1
31 22 28 2
32 22 29 1
33 29 30 1
34 30 31 1
35 10 32 1 #Down
36 16 33 1 #Up
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