ATOM 44
1 C8y C 26.2654 -4.3298
2 C1y C 25.1475 -5.0285
3 C8y C 26.2654 -3.0022
4 C8y C 27.4532 -5.0285
5 N1y N 23.9597 -4.3298
6 C1x C 25.1475 -6.3560
7 C8x C 27.4532 -2.3035
8 C1x C 25.0776 -2.3035
9 C8y C 28.6410 -4.3298
10 C1x C 23.9597 -3.0022
11 C8y C 23.9597 -7.4041
12 C8y C 28.6410 -3.0022
13 O1a O 29.7589 -5.0285
14 C8x C 22.8418 -6.7752
15 C8x C 23.9597 -8.7316
16 O2a O 29.7589 -2.3035
17 C8x C 21.6540 -7.4041
18 C8y C 22.9116 -9.4303
19 C1a C 30.8768 -3.0022
20 C8y C 21.6540 -8.7316
21 O1a O 20.4662 -9.4303
22 C1a C 22.8418 -5.0285
23 O2x O 27.4532 -6.3560
24 N1y N 28.8506 -11.8758
25 C1y C 27.6628 -11.1770
26 C1x C 28.8506 -13.3430
27 C8y C 26.4750 -11.8758
28 C1x C 29.8288 -10.2687
29 C1x C 27.6628 -13.9719
30 C8y C 26.4750 -13.2732
31 C8x C 25.2872 -11.2469
32 C8x C 28.5711 -8.8015
33 C8x C 25.2872 -13.9719
34 C8y C 24.0994 -11.8758
35 C8y C 29.8288 -9.5002
36 C8x C 28.5711 -7.4041
37 C8y C 24.0994 -13.2732
38 O2x O 22.9116 -11.1770
39 C8x C 31.0166 -8.8015
40 C8y C 29.7589 -6.7053
41 O2a O 22.9116 -13.9719
42 C8x C 31.0166 -7.3342
43 C1a C 21.6540 -13.3430
44 C1a C 30.0384 -11.1770
BOND 50
1 20 21 1
2 8 10 1
3 9 12 1
4 18 20 1
5 22 5 1
6 4 23 1
7 1 2 1
8 1 3 2
9 1 4 1
10 2 5 1
11 2 6 1
12 3 7 1
13 3 8 1
14 4 9 2
15 5 10 1
16 6 11 1
17 7 12 2
18 9 13 1
19 11 14 2
20 11 15 1
21 12 16 1
22 14 17 1
23 15 18 2
24 16 19 1
25 17 20 2
26 24 25 1
27 24 26 1
28 25 27 1
29 25 28 1
30 26 29 1
31 27 30 2
32 27 31 1
33 30 33 1
34 31 34 2
35 32 35 2
36 32 36 1
37 33 37 2
38 34 38 1
39 35 39 1
40 36 40 2
41 37 41 1
42 39 42 2
43 41 43 1
44 29 30 1
45 34 37 1
46 40 42 1
47 24 44 1
48 23 40 1
49 18 38 1
50 35 28 1
| 
