ATOM 42
1 C1b C 22.0909 -16.5829
2 C1b C 23.3036 -15.8832
3 C1b C 24.5163 -16.5829
4 C1b C 25.7290 -15.8832
5 C1b C 26.9417 -16.5829
6 C1b C 28.1544 -15.8832
7 C1b C 29.3671 -16.5829
8 C1b C 30.5798 -15.8832
9 C1b C 31.7925 -16.5829
10 C1b C 33.0052 -15.8832
11 C1b C 34.1712 -16.5829
12 C7a C 35.4306 -15.8832
13 O7a O 36.6433 -16.5829
14 O6a O 35.4306 -14.4840
15 C1b C 37.8560 -15.8832
16 C1c C 39.0687 -16.5829
17 C1b C 40.2814 -15.8832
18 O1a O 41.4941 -16.5829
19 O7a O 38.3690 -17.7955
20 C1b C 20.8781 -15.8832
21 C1b C 19.6655 -16.5829
22 C1b C 18.4528 -15.8832
23 C1a C 17.2400 -16.5829
24 C1a C 16.3539 -18.4952
25 C1b C 17.5666 -17.7955
26 C1b C 18.7792 -18.4952
27 C1b C 19.9920 -17.7955
28 C1b C 21.2047 -18.4952
29 C1b C 22.4173 -17.7955
30 C1b C 23.6301 -18.4952
31 C1b C 24.8428 -17.7955
32 C2b C 26.0555 -18.4952
33 C2b C 27.4547 -18.4952
34 C1b C 28.6675 -17.7955
35 C1b C 29.8802 -18.4952
36 C1b C 31.0928 -17.7955
37 C1b C 32.3056 -18.4952
38 C1b C 33.5183 -17.7955
39 C1b C 34.7309 -18.4952
40 C1b C 35.9437 -17.7955
41 C7a C 37.1564 -18.4952
42 O6a O 37.1564 -19.8944
BOND 41
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 12 14 2
14 13 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 16 19 1 #Down
19 1 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 24 25 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 29 30 1
29 30 31 1
30 31 32 1
31 32 33 2
32 33 34 1
33 34 35 1
34 35 36 1
35 36 37 1
36 37 38 1
37 38 39 1
38 39 40 1
39 40 41 1
40 41 19 1
41 41 42 2
| 
