ATOM 42
1 C1y C 19.1800 -20.9300
2 C1y C 19.1800 -22.3300
3 C1y C 20.3924 -23.0300
4 C1y C 21.6049 -22.3300
5 C1y C 21.6049 -20.9300
6 O2x O 20.3924 -20.2300
7 O2a O 24.0960 -19.7290
8 O1a O 20.3924 -24.4298
9 C6a C 17.9676 -20.2300
10 O1a O 17.9676 -23.0300
11 O2a O 22.8360 -23.0410
12 S4a S 24.2360 -23.0410
13 O1d O 25.6360 -23.0410
14 O1d O 24.2360 -21.6410
15 O1d O 24.2360 -24.4410
16 C1y C 26.0784 -18.7490
17 C1y C 27.3192 -19.4655
18 C1y C 28.5317 -18.7657
19 C1y C 28.5318 -17.3657
20 O2x O 27.2910 -16.6491
21 C1y C 26.0785 -17.3490
22 O6a O 16.7721 -20.9204
23 O6a O 17.9675 -18.8302
24 Z * 15.7276 -23.0300
25 O2a O 27.3190 -20.6499
26 C1b C 24.8946 -16.6652
27 O1a O 29.7678 -16.6520
28 N1b N 29.7626 -19.4768
29 O2a O 23.4946 -16.6652
30 S4a S 22.0946 -16.6652
31 O1d O 20.6946 -16.6652
32 O1d O 22.0945 -15.2602
33 O1d O 22.0946 -18.0652
34 Z * 32.2878 -16.6520
35 S4a S 31.1626 -19.4768
36 O1d O 32.5626 -19.4768
37 O1d O 31.1628 -18.0601
38 O1d O 31.1625 -20.8599
39 S4a S 27.3190 -22.0499
40 O1d O 27.3190 -23.4499
41 O1d O 25.9190 -22.0499
42 O1d O 28.7190 -22.0499
BOND 43
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 5 7 1 #Up
8 3 8 1 #Up
9 1 9 1 #Down
10 2 10 1 #Down
11 4 11 1 #Down
12 11 12 1
13 12 13 1
14 12 14 2
15 12 15 2
16 16 7 1 #Down
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 16 21 1
23 9 22 1
24 9 23 2
25 10 24 1
26 17 25 1 #Up
27 21 26 1 #Up
28 19 27 1 #Down
29 18 28 1 #Down
30 26 29 1
31 29 30 1
32 30 31 1
33 30 32 2
34 30 33 2
35 27 34 1
36 28 35 1
37 35 36 1
38 35 37 2
39 35 38 2
40 25 39 1
41 39 40 1
42 39 41 2
43 39 42 2
BRACKET 1 17.4300 -23.5900 17.4300 -21.7700
1 30.7300 -15.5400 30.7300 -17.3600
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
1 17 18 19 20 21 22 23 25 26 27 28 29 30 31 32 33
1 35 36 37 38 39 40 41 42
REPEAT 1
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