ATOM 50
1 C5x C 26.7636 -19.5152
2 C8y C 25.5852 -17.4593
3 C8y C 25.6493 -18.8265
4 C2x C 27.9468 -18.8368
5 C8y C 24.4091 -19.5102
6 C5x C 24.4105 -20.8799
7 C8y C 23.2101 -18.8419
8 C1c C 22.0374 -16.7945
9 C8y C 23.2136 -17.4848
10 C8y C 24.4012 -16.8140
11 C1c C 22.0486 -15.4336
12 C1c C 23.2360 -14.7629
13 C1c C 24.4364 -12.7374
14 C1c C 23.2498 -13.4045
15 C1c C 25.6021 -13.4285
16 O1a O 25.5867 -14.7107
17 C1c C 26.7839 -12.7657
18 C2b C 27.9434 -13.4551
19 C2c C 30.3360 -14.8311
20 C2b C 30.2829 -13.4842
21 C2b C 29.1215 -12.7963
22 C5a C 29.0879 -15.4899
23 C5x C 26.7439 -16.7874
24 C2y C 27.8951 -17.4782
25 N1b N 29.1335 -16.8294
26 O5x O 25.3767 -21.8520
27 C1c C 20.8532 -17.4735
28 C2b C 20.8498 -18.8356
29 C2b C 19.6656 -19.5064
30 O2a O 19.6562 -20.8647
31 C1z C 22.0081 -20.8811
32 O2x O 21.9476 -19.5228
33 C1a C 21.9995 -22.2447
34 C1a C 31.4376 -15.5295
35 O2a O 19.6682 -16.7857
36 C1a C 18.4855 -17.4654
37 C1a C 20.7808 -15.8261
38 C1a C 24.4433 -11.3702
39 C1a C 26.7995 -11.3986
40 O7a O 20.8738 -14.7403
41 O1a O 22.0711 -12.6992
42 C7a C 19.6809 -14.0552
43 C1a C 18.5014 -14.7403
44 O6a O 19.6793 -12.6880
45 O5x O 26.7542 -15.6302
46 O1a O 24.4587 -15.4436
47 C1a C 22.1118 -13.8664
48 O5x O 26.7577 -20.8826
49 O5a O 27.9182 -14.7881
50 C1a C 23.2747 -16.5050
BOND 53
1 9 10 2
2 23 24 1
3 24 25 1
4 25 22 1
5 12 11 1
6 6 26 2
7 11 8 1
8 28 27 1
9 23 2 1
10 5 3 1
11 15 13 1
12 13 14 1
13 28 29 2
14 29 30 1
15 31 32 1
16 30 31 1
17 31 6 1
18 14 12 1
19 31 33 1 #Down
20 5 7 2
21 19 34 1
22 6 5 1
23 27 35 1 #Down
24 2 10 1
25 35 36 1
26 15 16 1 #Down
27 8 37 1 #Down
28 14 41 1 #Down
29 18 17 1
30 13 38 1 #Down
31 17 15 1
32 17 39 1 #Up
33 32 7 1
34 11 40 1 #Up
35 7 9 1
36 8 27 1
37 40 42 1
38 2 3 2
39 42 43 1
40 22 19 1
41 42 44 2
42 19 20 2
43 23 45 2
44 20 21 1
45 10 46 1
46 21 18 2
47 12 47 1 #Up
48 3 1 1
49 1 48 2
50 1 4 1
51 22 49 2
52 4 24 2
53 9 50 1
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