ATOM 39
1 C1b C 41.0200 -13.9300
2 C1b C 39.9700 -14.6300
3 C2c C 38.7100 -13.9300
4 C1a C 38.7100 -12.5300
5 C1b C 37.5200 -16.0300
6 C2b C 37.5200 -14.6300
7 C1b C 36.4700 -16.6600
8 C1c C 35.2100 -15.9600
9 C1a C 35.2100 -14.5600
10 C1b C 34.0200 -18.0600
11 C1b C 34.0200 -16.6600
12 O2b O 32.7600 -18.9000
13 P1b P 31.2900 -18.9000
14 O2b O 29.8200 -18.9000
15 O1c O 31.2900 -17.4300
16 O1c O 31.2900 -20.3700
17 C1a C 54.7400 -14.6300
18 C2c C 53.4800 -13.9300
19 C2b C 52.2200 -14.6300
20 C1a C 53.4800 -12.5300
21 C1b C 50.9600 -13.9300
22 C1b C 49.7700 -14.6300
23 C2c C 48.5100 -13.9300
24 C2b C 47.2500 -14.6300
25 C1a C 48.5100 -12.5300
26 C1b C 45.9900 -13.9300
27 C1b C 44.8000 -14.6300
28 C2c C 43.5400 -13.9300
29 C2b C 42.2800 -14.6300
30 C1a C 43.5400 -12.5300
31 C1y C 28.6076 -19.6000
32 O2x O 27.4121 -18.9096
33 C1x C 26.1996 -19.6095
34 C1y C 26.1994 -21.0095
35 C1y C 27.3949 -21.6999
36 C1y C 28.6074 -21.0000
37 O1a O 24.9870 -21.7095
38 O1a O 29.8198 -21.7000
39 O1a O 27.3949 -23.0999
BOND 39
1 1 2 1
2 3 4 1
3 3 2 1
4 5 6 1
5 6 3 2
6 5 7 1
7 8 9 1
8 8 7 1
9 10 11 1
10 11 8 1
11 10 12 1
12 12 13 1
13 13 14 1
14 13 15 1
15 13 16 2
16 21 22 1
17 22 23 1
18 23 24 2
19 23 25 1
20 24 26 1
21 19 21 1
22 17 18 1
23 18 19 2
24 26 27 1
25 27 28 1
26 28 29 2
27 28 30 1
28 29 1 1
29 18 20 1
30 31 14 1 #Up
31 31 32 1
32 32 33 1
33 33 34 1
34 34 35 1
35 35 36 1
36 31 36 1
37 34 37 1 #Down
38 36 38 1 #Down
39 35 39 1 #Up
BRACKET 1 37.2400 -17.1500 37.2400 -11.9000
1 40.2500 -11.9000 40.2500 -17.1500
1 n
ORIGINAL 1 2 3 4 5 6
REPEAT 1
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