ATOM 54
1 C8y C 23.8000 -20.0900
2 C8y C 23.8000 -21.4900
3 C8x C 24.9900 -22.1900
4 C8x C 26.2500 -21.4900
5 C8y C 26.2500 -20.0900
6 C8x C 24.9900 -19.3900
7 C1b C 27.4400 -19.3900
8 C8y C 22.6100 -22.1900
9 C8y C 22.6100 -23.5900
10 C8x C 21.4200 -24.2900
11 C8y C 20.1600 -23.5900
12 C8x C 20.1600 -22.1900
13 C8x C 21.4200 -21.4900
14 C1b C 18.9700 -24.2900
15 O2a O 23.8000 -24.2900
16 C1a C 24.9900 -23.5900
17 O2a O 22.6100 -19.3900
18 C1a C 21.4200 -20.0900
19 C1y C 17.7100 -23.5900
20 C1y C 28.6300 -20.0900
21 C1y C 28.6300 -21.4900
22 C7x C 29.9600 -21.9100
23 O7x O 30.8000 -20.7900
24 C1x C 29.9600 -19.6700
25 C1y C 17.7100 -22.1900
26 C7x C 16.3785 -21.7574
27 O7x O 15.5556 -22.8900
28 C1x C 16.3785 -24.0226
29 C1b C 18.9224 -21.4900
30 C1b C 27.4176 -22.1900
31 C8y C 18.9224 -20.0200
32 C8y C 27.4176 -23.7300
33 C8x C 20.1179 -19.3296
34 C8y C 20.1178 -17.9296
35 C8y C 18.9053 -17.2297
36 C8y C 17.7098 -17.9201
37 C8x C 17.7099 -19.3201
38 C8x C 26.2221 -24.4204
39 C8y C 26.2222 -25.8204
40 C8y C 27.4347 -26.5203
41 C8y C 28.6303 -25.8299
42 C8x C 28.6301 -24.4299
43 O1a O 18.9052 -15.8200
44 O2a O 21.3132 -17.2390
45 O2a O 16.4974 -17.2203
46 C1a C 16.4974 -15.8203
47 C1a C 21.3132 -15.8390
48 O1a O 27.4348 -27.9300
49 O2a O 25.0268 -26.5110
50 C1a C 25.0268 -27.9110
51 O2a O 29.8426 -26.5297
52 C1a C 29.8426 -27.9297
53 O6a O 16.3785 -20.3574
54 O6a O 29.9600 -23.3100
BOND 59
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 2 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 11 14 1
16 9 15 1
17 15 16 1
18 1 17 1
19 17 18 1
20 14 19 1
21 7 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 20 24 1
27 19 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 19 28 1
32 25 29 1
33 21 30 1
34 29 31 1
35 30 32 1
36 31 33 2
37 33 34 1
38 34 35 2
39 35 36 1
40 36 37 2
41 31 37 1
42 32 38 2
43 38 39 1
44 39 40 2
45 40 41 1
46 41 42 2
47 32 42 1
48 35 43 1
49 34 44 1
50 36 45 1
51 45 46 1
52 44 47 1
53 40 48 1
54 39 49 1
55 49 50 1
56 41 51 1
57 51 52 1
58 26 53 2
59 22 54 2
| 
