ATOM 41
1 C8x C 20.0200 -19.4600
2 C8y C 18.8300 -20.2300
3 C8x C 18.8300 -21.5600
4 C8y C 20.0900 -22.3300
5 C8y C 21.2100 -21.6300
6 C8y C 21.2100 -20.1600
7 O1a O 22.4700 -19.4600
8 O1a O 17.6400 -19.5300
9 O1a O 20.0900 -23.7300
10 C1b C 22.4700 -22.2600
11 C1y C 22.4700 -23.6600
12 C8y C 22.9600 -25.9000
13 C8y C 24.1500 -25.2000
14 C1y C 23.8700 -23.8000
15 O2x O 21.9100 -24.9900
16 C8x C 22.9600 -27.3000
17 C8y C 24.2200 -28.0000
18 C8y C 25.4100 -27.3000
19 C8y C 25.4100 -25.9000
20 C1x C 26.6000 -28.0000
21 C1y C 27.7900 -27.3000
22 C1y C 27.7900 -25.9000
23 O2x O 26.6000 -25.2000
24 C8y C 25.0600 -23.1000
25 C8y C 29.0500 -25.1300
26 O1a O 29.0500 -28.0000
27 C8x C 30.2400 -25.9000
28 C8y C 31.5000 -25.1300
29 C8y C 31.5000 -23.7300
30 C8x C 30.2400 -23.0300
31 C8x C 29.0500 -23.7300
32 O1a O 32.6900 -23.0300
33 O1a O 32.6900 -25.8300
34 C8x C 26.3200 -23.8000
35 C8x C 27.5100 -23.1000
36 C8y C 27.5100 -21.7000
37 C8y C 26.2500 -21.0000
38 C8x C 25.0600 -21.7000
39 O1a O 28.7000 -21.0000
40 O1a O 26.2500 -19.6000
41 O1a O 24.2200 -29.4000
BOND 46
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 6 7 1
8 2 8 1
9 4 9 1
10 5 10 1
11 11 10 1 #Up
12 12 13 1
13 13 14 1
14 14 11 1
15 11 15 1
16 12 15 1
17 12 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 13 19 2
22 18 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 19 23 1
27 14 24 1 #Down
28 22 25 1 #Up
29 21 26 1 #Up
30 25 27 2
31 27 28 1
32 28 29 2
33 29 30 1
34 30 31 2
35 25 31 1
36 29 32 1
37 28 33 1
38 24 34 1
39 34 35 2
40 35 36 1
41 36 37 2
42 37 38 1
43 24 38 2
44 36 39 1
45 37 40 1
46 17 41 1
|