ATOM 74
1 C8y C 19.9074 -13.3661
2 C1y C 21.1007 -14.0685
3 C8y C 19.9074 -11.9697
4 C8y C 18.7058 -14.0685
5 N2y N 22.3195 -13.3745 #+
6 C1b C 21.1007 -15.4564
7 C8x C 18.7058 -11.2756
8 C1x C 21.1175 -11.2841
9 C8y C 17.4956 -13.3661
10 O2a O 18.6972 -15.4564
11 C1x C 22.3195 -11.9781
12 C1b C 23.5127 -12.6805
13 C1a C 23.6565 -14.0863
14 C8y C 22.3025 -16.1419
15 C8y C 17.4956 -11.9697
16 O2a O 16.2855 -14.0685
17 C1a C 17.4956 -16.1419
18 C1b C 24.7229 -13.3661
19 C8x C 22.3108 -17.5298
20 C8x C 23.5041 -15.4478
21 O2a O 16.2855 -11.2756
22 C1a C 15.0837 -13.3661
23 C1b C 25.9245 -12.6721
24 C8y C 23.5127 -18.2238
25 C8y C 24.7142 -16.1333
26 C1a C 15.0837 -11.9611
27 O7a O 27.1348 -13.3576
28 C8y C 24.7142 -17.5214
29 O2a O 23.5127 -19.6117
30 O2a O 25.9161 -15.4309
31 C7a C 28.3451 -12.6635
32 O2a O 25.9161 -18.2152
33 C1a C 24.7142 -20.3055
34 C1a C 27.1179 -16.1249
35 C1b C 29.5466 -13.3492
36 O6a O 28.3364 -11.2672
37 C1a C 27.1179 -17.5214
38 C1b C 30.7485 -12.6552
39 C7a C 31.9500 -13.3407
40 O7a O 33.1603 -12.6466
41 O6a O 31.9500 -14.7371
42 C1b C 34.3621 -13.3407
43 C1b C 35.5722 -12.6466
44 C1b C 36.7739 -13.3323
45 N2y N 37.9841 -12.6383 #+
46 C1y C 39.1942 -13.3323
47 C1x C 37.9841 -11.2417
48 C1a C 36.7739 -11.9358
49 C8y C 40.3878 -12.6383
50 C1b C 39.1942 -15.2767
51 C1x C 39.1942 -10.5479
52 C8y C 40.3961 -11.2503
53 C8y C 41.5894 -13.3323
54 C8y C 37.9841 -15.9705
55 C8x C 41.5980 -10.5479
56 C8y C 42.7996 -12.6383
57 O2a O 41.5894 -14.7115
58 C8x C 36.7739 -15.2681
59 C8x C 37.9841 -17.3670
60 C8y C 42.7996 -11.2503
61 O2a O 44.0014 -13.3323
62 C1a C 42.7912 -15.4056
63 C8y C 35.5637 -15.9705
64 C8y C 36.7739 -18.0694
65 O2a O 44.0014 -10.5479
66 C1a C 45.2115 -12.6383
67 C8y C 35.5637 -17.3755
68 O2a O 34.3534 -15.2681
69 O2a O 36.7739 -19.4489
70 C1a C 45.2115 -11.2417
71 O2a O 34.3534 -18.0610
72 C1a C 33.1433 -15.9705
73 C1a C 35.5637 -20.1427
74 C1a C 33.1433 -17.3670
BOND 79
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 5 13 1
13 6 14 1
14 7 15 2
15 9 16 1
16 10 17 1
17 12 18 1
18 14 19 1
19 14 20 2
20 15 21 1
21 16 22 1
22 18 23 1
23 19 24 2
24 20 25 1
25 21 26 1
26 23 27 1
27 24 28 1
28 24 29 1
29 25 30 1
30 27 31 1
31 28 32 1
32 29 33 1
33 30 34 1
34 31 35 1
35 31 36 2
36 32 37 1
37 35 38 1
38 38 39 1
39 39 40 1
40 39 41 2
41 40 42 1
42 42 43 1
43 43 44 1
44 44 45 1
45 45 46 1
46 45 47 1
47 45 48 1
48 46 49 1
49 46 50 1
50 47 51 1
51 49 52 2
52 49 53 1
53 50 54 1
54 52 55 1
55 53 56 2
56 53 57 1
57 54 58 2
58 54 59 1
59 55 60 2
60 56 61 1
61 57 62 1
62 58 63 1
63 59 64 2
64 60 65 1
65 61 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 8 11 1
75 9 15 1
76 25 28 2
77 51 52 1
78 56 60 1
79 64 67 1
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