ATOM 46
1 C1z C 27.0664 -15.9117
2 C1y C 28.2321 -16.4945
3 C1y C 25.8879 -16.4597
4 O2x O 28.0331 -15.1823
5 C1y C 27.1187 -14.6117
6 C1y C 28.5184 -17.7537
7 C1y C 29.3103 -15.7540
8 C1z C 25.5853 -17.7187
9 C1y C 24.7862 -15.7657
10 C1z C 29.2241 -11.3404
11 C1x C 28.0570 -13.8827
12 C1a C 25.8072 -14.0334
13 C1z C 27.6843 -18.7572
14 O2x O 28.8963 -18.8969
15 C1z C 29.2996 -14.4540
16 O2x O 30.7112 -16.1244
17 C1y C 26.3784 -18.7455
18 C1y C 24.2911 -17.8179
19 O1a O 24.8207 -19.1062
20 C1y C 23.7887 -16.6174
21 C1y C 23.3695 -14.6584
22 O2x O 29.2175 -13.3697
23 C1x C 29.1601 -10.6692
24 C1b C 28.3314 -19.8761
25 C2c C 30.7687 -13.8068
26 O1a O 26.3726 -20.0396
27 O7a O 23.9464 -19.0597
28 C1a C 22.5412 -16.2903
29 C1x C 23.3578 -13.3628
30 C1a C 22.0810 -14.8324
31 C1x C 27.7662 -10.1975
32 O1a O 29.6256 -19.8761
33 C1a C 30.8271 -12.5068
34 C2a C 31.8819 -14.4482
35 C7a C 22.8274 -19.7008
36 C1x C 24.4708 -12.7217
37 C1x C 26.8561 -11.1249
38 C8y C 21.7071 -19.0538
39 O6a O 22.8274 -21.0024
40 C1x C 24.4708 -11.4274
41 C1x C 25.5970 -10.7802
42 C8x C 21.7014 -17.7654
43 C8x C 20.5940 -19.7067
44 C8x C 20.5765 -17.1241
45 C8x C 19.4692 -19.0655
46 C8x C 19.4635 -17.7771
BOND 53
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1 #Down
12 6 13 1
13 6 14 1
14 7 15 1
15 7 16 1 #Down
16 8 17 1
17 8 18 1
18 8 19 1 #Up
19 9 20 1
20 9 21 1
21 10 22 1
22 10 23 1
23 13 24 1 #Up
24 15 25 1 #Up
25 17 26 1 #Up
26 18 27 1 #Up
27 20 28 1 #Up
28 21 29 1
29 21 30 1 #Down
30 23 31 1
31 24 32 1
32 25 33 1
33 25 34 2
34 27 35 1
35 29 36 1
36 31 37 1
37 35 38 1
38 35 39 2
39 36 40 1
40 37 41 1
41 38 42 2
42 38 43 1
43 42 44 1
44 43 45 2
45 44 46 2
46 10 16 1
47 11 15 1
48 13 14 1
49 13 17 1
50 15 22 1 #Down
51 18 20 1
52 40 41 1
53 45 46 1
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