ATOM 30
1 C1z C 29.3300 -21.8400
2 C1y C 28.1400 -21.1400
3 C1z C 30.6600 -21.2100
4 C1y C 29.3300 -23.3800
5 C1a C 29.3300 -20.5100
6 C1z C 27.0200 -21.8400
7 C1y C 28.1400 -19.7400
8 C1z C 30.6600 -19.8100
9 C1x C 31.8500 -21.9100
10 C1x C 28.1400 -24.0100
11 O7x O 30.6600 -24.0100
12 C1y C 27.0200 -23.3800
13 C5x C 25.8300 -21.1400
14 C1a C 27.0200 -20.4400
15 C1y C 29.3300 -18.9700
16 C7x C 31.8500 -23.4500
17 C1y C 25.8300 -24.0100
18 C2y C 24.5000 -21.8400
19 O5x O 25.8300 -19.7400
20 O6a O 33.0400 -24.0800
21 C2x C 24.5000 -23.3800
22 C1a C 25.8300 -25.4100
23 O1a O 30.6600 -22.5400
24 O2a O 23.3800 -21.1400
25 O1a O 27.2300 -18.6900
26 O2a O 29.3300 -17.5700
27 C1a C 22.1200 -21.8400
28 C1a C 30.5900 -16.8700
29 C1a C 31.8500 -19.1100
30 O1a O 31.7800 -20.6500
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 6 12 1
12 6 13 1
13 6 14 1 #Up
14 7 15 1
15 9 16 1
16 12 17 1
17 13 18 1
18 13 19 2
19 16 20 2
20 17 21 1
21 17 22 1 #Down
22 8 15 1
23 10 12 1
24 11 16 1
25 18 21 2
26 3 23 1 #Up
27 18 24 1
28 7 25 1 #Down
29 15 26 1 #Up
30 24 27 1
31 26 28 1
32 8 29 1 #Down
33 8 30 1 #Up
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