ATOM 44
1 C2b C 21.6392 -10.6868
2 C2b C 22.8566 -11.3800
3 C2b C 24.0552 -10.6926
4 C2b C 25.2656 -11.3929
5 C2b C 26.4828 -10.6985
6 C2b C 27.7001 -11.3986
7 C1b C 28.9047 -10.6985
8 C1b C 30.1219 -11.4044
9 C1b C 31.3392 -10.7112
10 C1b C 32.5436 -11.4103
11 C1b C 33.7610 -10.7171
12 C1b C 34.9656 -11.4103
13 C1b C 36.1828 -10.7228
14 C1b C 37.4001 -11.4231
15 C1a C 38.6047 -10.7286
16 C1y C 19.5464 -15.2073
17 C1y C 18.3724 -15.9740
18 C1z C 19.5068 -13.8022
19 C1z C 20.7277 -14.4043
20 C1y C 18.6828 -17.3619
21 C1z C 17.1131 -15.3660
22 C1x C 18.1832 -13.1754
23 O7a O 20.4476 -12.7914
24 C1a C 21.9321 -13.6981
25 C1a C 22.0723 -14.9796
26 C1z C 17.7877 -18.4391
27 O2x O 19.1697 -18.6644
28 C1y C 15.9016 -15.9682
29 C1y C 17.0850 -13.9537
30 O1a O 17.1003 -16.7655
31 C1y C 16.3824 -18.4332
32 C1b C 18.1472 -19.8023
33 C1z C 15.5245 -17.3255
34 C2x C 14.7334 -15.1957
35 C1a C 15.7558 -13.3457
36 O1a O 16.3765 -19.8268
37 C5x C 14.1123 -17.3864
38 O1a O 15.1405 -18.6702
39 C2y C 13.6315 -16.0593
40 O5x O 13.3455 -18.5546
41 C1a C 12.2811 -15.6881
42 C7a C 20.4354 -11.3907
43 O6a O 19.2234 -10.7024
44 O1a O 19.3444 -20.4926
BOND 48
1 3 4 2
2 4 5 1
3 5 6 2
4 6 7 1
5 7 8 1
6 8 9 1
7 9 10 1
8 10 11 1
9 11 12 1
10 12 13 1
11 13 14 1
12 14 15 1
13 16 17 1
14 16 18 1
15 16 19 1
16 17 20 1
17 17 21 1
18 18 22 1
19 18 23 1 #Down
20 19 24 1
21 19 25 1
22 20 26 1
23 20 27 1
24 21 28 1
25 21 29 1
26 21 30 1 #Down
27 26 31 1
28 26 32 1 #Up
29 28 33 1
30 28 34 1
31 29 35 1 #Down
32 31 36 1 #Up
33 33 37 1
34 33 38 1 #Up
35 34 39 2
36 37 40 2
37 39 41 1
38 18 19 1
39 22 29 1
40 26 27 1
41 31 33 1
42 37 39 1
43 23 42 1
44 42 1 1
45 1 2 2
46 42 43 2
47 2 3 1
48 32 44 1
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