ATOM 42
1 C8y C 25.6900 -25.8300
2 C8y C 25.6900 -27.2300
3 C1x C 26.8800 -27.9300
4 C1y C 28.1400 -27.2300
5 C1y C 28.1400 -25.8300
6 O2x O 26.8800 -25.1300
7 C8y C 24.5000 -25.1300
8 C8y C 23.2400 -25.8300
9 C8x C 23.2400 -27.2300
10 C8y C 24.5000 -27.9300
11 O1a O 29.3300 -27.9300
12 O1a O 24.5000 -29.3300
13 O1a O 22.0500 -25.1300
14 C1c C 24.5000 -23.7300
15 C8y C 25.6900 -23.0300
16 C1c C 23.3100 -23.0300
17 C8x C 26.8800 -23.7300
18 C8x C 28.1400 -23.0300
19 C8y C 28.1400 -21.6300
20 C8y C 26.9500 -20.9300
21 C8x C 25.6900 -21.6300
22 C8y C 29.3300 -25.1300
23 C8x C 30.5200 -25.8300
24 C8x C 31.7800 -25.1300
25 C8y C 31.7800 -23.7300
26 C8y C 30.5900 -23.0300
27 C8x C 29.3300 -23.7300
28 C1b C 22.1200 -23.7300
29 O1a O 23.3100 -21.6300
30 C8y C 20.9300 -23.0300
31 C8y C 20.9300 -21.6300
32 C8x C 19.6700 -20.9300
33 C8y C 18.4800 -21.6300
34 C8x C 18.4800 -23.0300
35 C8y C 19.6700 -23.7300
36 O1a O 17.2900 -20.9300
37 O1a O 19.6700 -25.1300
38 O1a O 22.1200 -20.9300
39 O1a O 26.9500 -19.5300
40 O1a O 29.3300 -20.9300
41 O1a O 30.5900 -21.6300
42 O1a O 32.9700 -23.0300
BOND 46
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 4 11 1 #Up
13 10 12 1
14 8 13 1
15 7 14 1
16 14 15 1 #Down
17 14 16 1
18 15 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 15 21 2
24 5 22 1 #Up
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 22 27 2
31 16 28 1
32 16 29 1 #Down
33 28 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 30 35 1
40 33 36 1
41 35 37 1
42 31 38 1
43 20 39 1
44 19 40 1
45 26 41 1
46 25 42 1
| 
