ATOM 34
1 C1x C 12.9500 -24.5700
2 C1y C 12.9500 -25.9700
3 C1x C 14.1400 -26.6700
4 C1y C 15.3300 -25.9700
5 C1z C 15.3300 -24.5700
6 C1x C 14.1400 -23.8700
7 C1x C 16.5200 -26.6700
8 C1y C 17.7100 -25.9700
9 C1y C 17.7100 -24.5700
10 C1y C 16.5200 -23.8700
11 C1y C 18.9000 -23.8700
12 C1z C 18.9000 -22.5400
13 C1x C 17.7100 -21.8400
14 C1x C 16.5200 -22.5400
15 C1x C 21.2800 -23.8700
16 C1x C 21.2800 -22.5400
17 C1y C 20.0900 -21.8400
18 C1a C 15.3300 -23.1700
19 O1a O 18.8300 -26.6000
20 C1a C 18.9000 -21.1400
21 C1c C 20.0900 -20.4400
22 O1a O 11.6900 -26.6700
23 C1a C 18.9000 -19.7400
24 C1b C 21.2800 -19.7400
25 C1b C 22.4700 -20.4400
26 C5a C 23.6600 -19.7400
27 N1b N 24.8500 -20.4400
28 C1b C 26.0400 -19.7400
29 C1b C 27.2300 -20.4400
30 S4a S 28.4200 -19.7400
31 O5a O 23.6600 -18.4100
32 O1d O 29.6100 -19.0400
33 O1d O 27.7200 -18.5500
34 O1d O 29.1200 -20.9300
BOND 37
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
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 5 18 1 #Up
22 8 19 1 #Up
23 12 20 1 #Up
24 17 21 1 #Up
25 2 22 1 #Down
26 21 23 1 #Down
27 21 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 26 31 2
35 30 32 1
36 30 33 2
37 30 34 2
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