ATOM 61
1 C8y C 29.6781 -18.5869
2 N2y N 31.0025 -19.0222 #+
3 C8y C 29.6903 -17.1951
4 C8x C 28.4578 -19.2676
5 C1y C 31.8365 -17.9002
6 C2b C 31.0025 -20.4328
7 C1x C 31.0148 -16.7596
8 C8x C 28.4884 -16.4838
9 C8y C 27.3321 -18.5624
10 C6a C 33.2346 -17.8941
11 C2b C 32.2105 -21.1379
12 C8y C 27.2744 -17.1705
13 O1a O 26.0419 -19.2431
14 O6a O 33.9337 -16.6799
15 O6a O 33.9337 -19.1144 #-
16 C2y C 32.2105 -22.5422
17 O2a O 26.0725 -16.4530
18 C1x C 30.9965 -23.2350
19 C2x C 33.4247 -23.2350
20 C1y C 26.0787 -15.0549
21 C1y C 30.9965 -24.6393
22 C2y C 33.4247 -24.6393
23 C1y C 24.8584 -14.3559
24 O2x O 27.2867 -14.3559
25 N1x N 32.2105 -25.3444
26 C6a C 29.7823 -25.3444
27 C6a C 34.6389 -25.3444
28 O2a O 23.6382 -15.0611
29 C1y C 24.8584 -12.9578
30 C1y C 27.2867 -12.9518
31 O6a O 28.5620 -24.6393
32 O6a O 29.7823 -26.7487
33 O6a O 34.6389 -26.7487
34 O6a O 35.8592 -24.6393
35 C1y C 22.4240 -15.7602
36 C1y C 26.0725 -12.2465
37 O1a O 23.6382 -12.2525
38 C1b C 28.5007 -12.2465
39 O2x O 21.2160 -15.0611
40 C1y C 22.4240 -17.1643
41 O1a O 26.0725 -10.8545
42 O7a O 28.4946 -10.8422
43 C1y C 19.9957 -15.7602
44 C1y C 21.2160 -17.8573
45 O1a O 23.6382 -17.8573
46 C7a C 29.6966 -10.1432
47 C1y C 19.9957 -17.1643
48 C6a C 18.7815 -15.0549
49 O1a O 21.2160 -19.2614
50 C1b C 30.8983 -10.8361
51 O6a O 29.6843 -8.7513
52 O1a O 18.7815 -17.8633
53 O6a O 17.5613 -15.7602
54 O6a O 18.7693 -13.6568
55 C1d C 32.1063 -10.1371
56 C1b C 33.3082 -10.8299
57 C1a C 33.0874 -9.1438
58 O1a O 31.1130 -9.1438
59 C6a C 34.5162 -10.1309
60 O6a O 35.7182 -10.8239
61 O6a O 34.5039 -8.7390
BOND 65
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1 #Up
10 6 11 1
11 8 12 2
12 9 13 1
13 10 14 2
14 10 15 1
15 11 16 2
16 12 17 1
17 16 18 1
18 16 19 1
19 20 17 1 #Up
20 18 21 1
21 19 22 2
22 20 23 1
23 20 24 1
24 21 25 1
25 21 26 1 #Down
26 22 27 1
27 23 28 1 #Down
28 23 29 1
29 24 30 1
30 26 31 1
31 26 32 2
32 27 33 1
33 27 34 2
34 35 28 1 #Up
35 29 36 1
36 29 37 1 #Up
37 30 38 1 #Up
38 35 39 1
39 35 40 1
40 36 41 1 #Down
41 38 42 1
42 39 43 1
43 40 44 1
44 40 45 1 #Down
45 42 46 1
46 43 47 1
47 43 48 1 #Up
48 44 49 1 #Up
49 46 50 1
50 46 51 2
51 47 52 1 #Down
52 48 53 1
53 48 54 2
54 50 55 1
55 55 56 1
56 55 57 1 #Up
57 55 58 1 #Down
58 56 59 1
59 59 60 1
60 59 61 2
61 5 7 1
62 9 12 1
63 22 25 1
64 30 36 1
65 44 47 1
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