ATOM 27
1 C1y C 34.5100 -24.6400
2 O2x O 33.2500 -23.9400
3 C1y C 34.5100 -25.9700
4 O2a O 36.1200 -23.9400
5 C1y C 32.1300 -24.6400
6 C1y C 33.2500 -26.6700
7 O1a O 35.6300 -26.6700
8 C1z C 37.5900 -24.6400
9 C1y C 32.1300 -25.9700
10 C1b C 30.9400 -23.9400
11 O1a O 33.2500 -28.1400
12 C1x C 37.5900 -25.9700
13 C1z C 38.7800 -23.9400
14 O1a O 30.9400 -26.7400
15 O1a O 29.6800 -24.6400
16 C1x C 38.7800 -26.6700
17 C1z C 39.9700 -24.6400
18 C1x C 39.9700 -25.9700
19 C2b C 38.7800 -22.5400
20 C2b C 40.0400 -21.9100
21 C1c C 40.0400 -20.5100
22 C1a C 41.2300 -19.8100
23 O1a O 38.8500 -19.8800
24 O1a O 37.5900 -23.2400
25 C1a C 36.4000 -25.3400
26 C1a C 40.6700 -23.4500
27 C1a C 41.3700 -24.6400
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 3 6 1
6 3 7 1 #Down
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1 #Up
11 8 12 1
12 8 13 1
13 9 14 1 #Down
14 10 15 1
15 12 16 1
16 13 17 1
17 16 18 1
18 6 9 1
19 17 18 1
20 13 19 1
21 19 20 2
22 20 21 1
23 21 22 1
24 21 23 1 #Down
25 13 24 1 #Down
26 8 25 1 #Down
27 17 26 1
28 17 27 1
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