ATOM 27
1 C1x C 29.4399 -27.7450
2 C1y C 29.4399 -29.1129
3 C1x C 30.6273 -29.7968
4 C2y C 31.8080 -29.1129
5 C2y C 31.8080 -27.7450
6 C1y C 30.6273 -27.0612
7 C1x C 33.0025 -25.6589
8 C1x C 33.0025 -27.0267
9 C2y C 34.1899 -27.7105
10 C1x C 34.1899 -24.9750
11 C1z C 35.3704 -25.6589
12 C1y C 35.3647 -27.0267
13 C1x C 37.7337 -27.0368
14 C1x C 37.7396 -25.6689
15 C1y C 36.5581 -24.9801
16 C1c C 36.5638 -23.6122
17 C1b C 37.7416 -22.9302
18 C6a C 38.9230 -23.6142
19 C2b C 33.0103 -29.7651
20 C1a C 35.3584 -24.2911
21 C1a C 35.3802 -22.9265
22 C2b C 34.1598 -29.0598
23 O1a O 28.2557 -29.7973
24 C2a C 31.8005 -26.3704
25 O1a O 30.6297 -25.6292
26 O6a O 40.1444 -22.9111
27 O6a O 38.9212 -24.9900
BOND 29
1 2 3 1
2 15 16 1
3 3 4 1
4 16 17 1
5 7 8 1
6 17 18 1
7 8 9 1
8 9 12 1
9 9 22 2
10 11 10 1
11 22 19 1
12 10 7 1
13 4 5 1
14 11 20 1 #Up
15 5 6 1
16 16 21 1 #Down
17 6 1 1
18 1 2 1
19 11 12 1
20 13 14 1
21 19 4 2
22 14 15 1
23 15 11 1
24 2 23 1 #Up
25 12 13 1
26 5 24 2
27 6 25 1 #Down
28 18 26 1
29 18 27 2
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