ATOM 74
1 C1y C 13.5579 -15.6405
2 C8y C 12.3433 -14.9396
3 N2y N 14.7722 -14.9396 #+
4 C1b C 13.5478 -17.0326
5 C8y C 12.3433 -13.5375
6 C8x C 11.1387 -15.6405
7 C1x C 14.7722 -13.5375
8 C1b C 15.9667 -14.2286
9 C1a C 15.9667 -15.6308
10 C8y C 14.7621 -17.7435
11 C8x C 11.1387 -12.8365
12 C1x C 13.5579 -12.8365
13 C8y C 9.9144 -14.9396
14 C1b C 17.1813 -14.9295
15 C8x C 15.9570 -17.0326
16 C8x C 14.7524 -19.1454
17 C8y C 9.9144 -13.5375
18 O2a O 8.7001 -15.6405
19 C1b C 18.3858 -14.2286
20 C8y C 17.1713 -17.7435
21 C8y C 15.9570 -19.8365
22 O2a O 8.7001 -12.8365
23 C1a C 7.4858 -14.9396
24 O7a O 19.6001 -14.9295
25 C8y C 17.1713 -19.1454
26 O2a O 18.3858 -17.0326
27 O2a O 15.9570 -21.2387
28 C1a C 7.4858 -13.5375
29 C7a C 20.8144 -14.2286
30 O2a O 18.3858 -19.8365
31 C1a C 19.6001 -17.7435
32 C1a C 17.1713 -21.9396
33 C1b C 22.0190 -14.9295
34 O6a O 20.8144 -12.8265
35 C1a C 19.6001 -19.1454
36 C1b C 23.2336 -14.2286
37 C2b C 24.4478 -14.9295
38 C2b C 25.6424 -14.2286
39 C1b C 26.8667 -14.9295
40 C1b C 28.0713 -14.2286
41 C7a C 29.2956 -14.9295
42 O7a O 30.5001 -14.2286
43 O6a O 29.2956 -16.3317
44 C1b C 31.7244 -14.9295
45 C1b C 32.9290 -14.2189
46 C1b C 34.1533 -14.9198
47 N2y N 35.3579 -14.2286 #+
48 C1y C 36.5722 -14.9295
49 C1x C 35.3579 -12.8265
50 C1a C 34.1533 -13.5375
51 C8y C 37.7864 -14.2286
52 C1b C 36.5722 -16.6817
53 C1x C 36.5722 -12.1256
54 C8y C 37.7864 -12.8265
55 C8x C 38.9910 -14.9295
56 C8y C 35.3579 -17.3826
57 C8x C 38.9910 -12.1256
58 C8y C 40.2056 -14.2286
59 C8x C 34.1630 -16.6817
60 C8x C 35.3676 -18.7747
61 C8y C 40.2056 -12.8265
62 O2a O 41.4199 -14.9295
63 C8y C 32.9487 -17.3729
64 C8y C 34.1630 -19.4856
65 O2a O 41.4199 -12.1256
66 C1a C 42.6342 -14.2286
67 C8y C 32.9487 -18.7747
68 O2a O 31.7342 -16.6817
69 O2a O 34.1630 -20.8875
70 C1a C 42.6342 -12.8265
71 O2a O 31.7342 -19.4856
72 C1a C 30.5199 -17.3729
73 C1a C 32.9487 -21.5786
74 C1a C 30.5199 -18.7747
BOND 79
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 8 14 1
14 10 15 2
15 10 16 1
16 11 17 2
17 13 18 1
18 14 19 1
19 15 20 1
20 16 21 2
21 17 22 1
22 18 23 1
23 19 24 1
24 20 25 2
25 20 26 1
26 21 27 1
27 22 28 1
28 24 29 1
29 25 30 1
30 26 31 1
31 27 32 1
32 29 33 1
33 29 34 2
34 30 35 1
35 33 36 1
36 36 37 1
37 37 38 2
38 38 39 1
39 39 40 1
40 40 41 1
41 41 42 1
42 41 43 2
43 42 44 1
44 44 45 1
45 45 46 1
46 46 47 1
47 47 48 1
48 47 49 1
49 47 50 1
50 48 51 1
51 48 52 1 #Up
52 49 53 1
53 51 54 2
54 51 55 1
55 52 56 1
56 54 57 1
57 55 58 2
58 56 59 2
59 56 60 1
60 57 61 2
61 58 62 1
62 59 63 1
63 60 64 2
64 61 65 1
65 62 66 1
66 63 67 2
67 63 68 1
68 64 69 1
69 65 70 1
70 67 71 1
71 68 72 1
72 69 73 1
73 71 74 1
74 7 12 1
75 13 17 1
76 21 25 1
77 53 54 1
78 58 61 1
79 64 67 1
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