ATOM 54
1 C8y C 30.6956 -22.4442
2 C8x C 31.8307 -21.7861
3 C8y C 30.6956 -23.7593
4 C8y C 32.9656 -22.4442
5 C8x C 31.8307 -24.4114
6 O2a O 29.5605 -24.4114
7 C8y C 32.9597 -23.7593
8 C1y C 34.0936 -21.7919
9 C1a C 28.4255 -23.7593
10 C1x C 34.0819 -24.4172
11 N1y N 35.2285 -22.4559
12 C1b C 34.0819 -20.4771
13 C1x C 35.2226 -23.7651
14 C1a C 36.3575 -21.7978
15 C1c C 35.2168 -19.8248
16 C1a C 36.3517 -20.4711
17 C1a C 35.2051 -18.5156
18 O2a O 28.4037 -18.6725
19 C8y C 28.4105 -17.3050
20 C8y C 29.5513 -16.6598
21 C8y C 27.2813 -16.6598
22 C8y C 29.5513 -15.3435
23 C1y C 30.6747 -17.3050
24 C8y C 27.2813 -15.3378
25 C8x C 28.4162 -14.6926
26 C1x C 30.6805 -14.6983
27 N1y N 31.8037 -16.6658
28 C1b C 30.6747 -18.6095
29 O2a O 26.1521 -14.6866
30 C1x C 31.8097 -15.3495
31 C1a C 32.9386 -17.3050
32 C1c C 31.8037 -19.2548
33 C1a C 25.0172 -15.3378
34 C1a C 31.8037 -20.5651
35 C1a C 32.9386 -18.5920
36 O2a O 24.3188 -18.3981
37 C8y C 24.3215 -19.7090
38 C8y C 23.1749 -20.3542
39 C8y C 25.4507 -20.3601
40 C8y C 23.1760 -21.6705
41 C1y C 22.0528 -19.7032
42 C8y C 25.5147 -21.6820
43 C8x C 24.3098 -22.3274
44 C1x C 22.0528 -22.3214
45 N1y N 20.9179 -20.3542
46 C1b C 22.0411 -18.3940
47 O2a O 26.5683 -22.3274
48 C1x C 20.9179 -21.6705
49 C1a C 19.7711 -19.7032
50 C1c C 20.9120 -17.7358
51 C1a C 19.7711 -18.3940
52 C1a C 20.9120 -16.4327
53 O1a O 26.6361 -19.6863
54 C1a C 27.7519 -21.6505
BOND 59
1 5 7 1
2 19 20 1
3 19 21 2
4 20 22 2
5 20 23 1
6 21 24 1
7 22 25 1
8 22 26 1
9 23 27 1
10 23 28 1
11 24 29 1
12 26 30 1
13 27 31 1
14 28 32 1
15 29 33 1
16 32 34 1
17 32 35 1
18 24 25 2
19 27 30 1
20 11 13 1
21 21 36 1
22 19 18 1
23 1 18 1
24 1 2 2
25 1 3 1
26 2 4 1
27 3 5 2
28 3 6 1
29 4 7 2
30 4 8 1
31 6 9 1
32 7 10 1
33 8 11 1
34 8 12 1
35 10 13 1
36 11 14 1
37 12 15 1
38 36 37 1
39 37 38 1
40 37 39 2
41 38 40 2
42 38 41 1
43 39 42 1
44 40 43 1
45 40 44 1
46 41 45 1
47 41 46 1
48 42 47 1
49 44 48 1
50 45 49 1
51 46 50 1
52 50 51 1
53 50 52 1
54 42 43 2
55 45 48 1
56 15 16 1
57 39 53 1
58 15 17 1
59 47 54 1
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