ATOM 48
1 C8x C 43.3200 -24.4953
2 C8y C 43.3200 -25.8872
3 C8x C 42.1369 -26.5832
4 C8x C 40.8842 -25.8872
5 C8y C 40.8842 -24.4953
6 C8x C 42.1369 -23.7994
7 O1a O 44.5031 -26.5832
8 C1b C 39.7011 -23.7994
9 C1c C 38.5180 -24.4953
10 N1b N 37.3349 -23.7994
11 C6a C 38.5180 -25.8872
12 C5a C 36.1518 -24.4953
13 O6a O 37.3349 -26.5832
14 O6a O 39.7011 -26.5832
15 C1c C 34.9687 -23.7994
16 O5a O 36.1518 -25.8872
17 N1b N 33.7856 -24.4953
18 C5a C 32.6025 -23.7994
19 C1c C 31.4194 -24.4953
20 N1b N 30.2363 -23.7994
21 C5a C 29.0532 -24.4953
22 C1c C 34.9687 -21.8507
23 C1a C 33.7856 -21.1548
24 C1a C 36.1518 -21.1548
25 O5a O 32.6025 -22.4075
26 C1b C 31.4194 -26.2352
27 C1c C 27.8701 -23.7994
28 N1b N 26.6870 -24.4953
29 C5a C 25.5039 -23.7994
30 C1c C 24.3208 -24.4953
31 C6a C 32.6025 -26.9311
32 O6a O 33.7856 -26.2352
33 O6a O 32.6025 -28.3230
34 O5a O 29.0532 -25.8872
35 C1b C 27.8701 -22.4075
36 C1b C 26.6870 -21.7116
37 C1b C 26.6870 -20.3197
38 C1b C 25.5039 -19.6237
39 N1a N 25.5039 -18.2319
40 O5a O 25.5039 -22.4075
41 C1b C 23.1377 -23.7994
42 C1b C 21.9546 -24.4953
43 C1b C 20.7715 -23.7994
44 N1b N 19.5884 -24.4953
45 N1a N 24.3208 -25.8872
46 C2c C 18.4053 -23.7994
47 N1a N 17.2222 -24.4953
48 N2a N 18.4053 -22.4075
BOND 48
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 9 11 1 #Up
12 10 12 1
13 11 13 2
14 11 14 1
15 12 15 1
16 12 16 2
17 15 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 15 22 1 #Up
23 22 23 1
24 22 24 1
25 18 25 2
26 19 26 1 #Down
27 21 27 1
28 27 28 1
29 28 29 1
30 29 30 1
31 26 31 1
32 31 32 1
33 31 33 2
34 21 34 2
35 27 35 1 #Up
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 29 40 2
41 30 41 1
42 41 42 1
43 42 43 1
44 43 44 1
45 30 45 1 #Up
46 44 46 1
47 46 47 1
48 46 48 2
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