ATOM 33
1 N1y N 23.3800 -29.9600
2 C1y C 23.3800 -31.3600
3 C8y C 24.5700 -29.2600
4 C1b C 24.5700 -32.0600
5 C5x C 22.0500 -29.5400
6 C1x C 21.2100 -30.6600
7 C1x C 22.0500 -31.7800
8 C1b C 25.7600 -31.3600
9 C1b C 26.9500 -32.0600
10 C8y C 28.1400 -31.3600
11 C8x C 25.7600 -29.9600
12 C8x C 27.0200 -29.2600
13 C8y C 27.0200 -27.8600
14 C8x C 25.8300 -27.1600
15 C8x C 24.5700 -27.8600
16 C1c C 28.2100 -27.1600
17 C1b C 29.4000 -27.8600
18 O1a O 28.2100 -25.7600
19 C1b C 30.5900 -27.1600
20 C1b C 31.8500 -27.8600
21 C1b C 33.0400 -27.1600
22 C1a C 34.2300 -27.8600
23 C8x C 28.1400 -29.9600
24 S2x S 29.4700 -31.7800
25 C8y C 30.3100 -30.6600
26 C8x C 29.4700 -29.5400
27 O5x O 21.6300 -28.2100
28 C7a C 31.7800 -30.6600
29 O7a O 32.4800 -31.9200
30 O6a O 32.4800 -29.4700
31 C1b C 33.8800 -31.9200
32 C1b C 34.5800 -33.1324
33 O1a O 35.9800 -33.1324
BOND 35
1 1 2 1
2 1 3 1
3 2 4 1 #Up
4 1 5 1
5 5 6 1
6 6 7 1
7 2 7 1
8 4 8 1
9 8 9 1
10 9 10 1
11 3 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 3 15 1
17 13 16 1
18 16 17 1
19 16 18 1 #Up
20 17 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 23 10 2
25 10 24 1
26 24 25 1
27 25 26 2
28 23 26 1
29 5 27 2
30 25 28 1
31 28 29 1
32 28 30 2
33 29 31 1
34 31 32 1
35 32 33 1
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