ATOM 46
1 C8x C 28.9707 -26.0552
2 C8y C 28.2586 -27.2605
3 C8x C 28.9464 -28.4799
4 C8x C 30.3463 -28.4940
5 C8y C 31.0584 -27.2886
6 C8x C 30.3706 -26.0692
7 C1x C 23.8000 -22.8900
8 C1x C 23.1000 -24.0800
9 C8y C 23.8000 -25.3400
10 C8y C 25.2000 -25.3400
11 C1y C 25.9000 -24.0800
12 N1y N 25.2000 -22.8900
13 C8x C 23.1700 -26.5300
14 C8y C 23.8700 -27.7200
15 C8y C 25.2700 -27.7200
16 C8y C 25.9700 -26.5300
17 C1x C 27.0900 -23.3800
18 C8y C 28.2800 -23.3800
19 C8x C 28.9800 -24.6400
20 C8x C 30.3800 -24.6400
21 C8y C 31.0800 -23.4500
22 C8x C 30.3800 -22.1900
23 C8x C 28.9800 -22.1900
24 O2x O 32.2700 -23.4500
25 C8y C 33.4600 -24.1500
26 C8y C 34.1600 -25.3400
27 C8y C 35.5600 -25.3400
28 C8x C 36.2600 -24.0800
29 C8y C 35.5600 -22.8900
30 C8y C 34.1600 -22.8900
31 C1y C 33.4600 -26.5300
32 N1y N 34.2300 -27.7900
33 C1x C 35.6300 -27.7900
34 C1x C 36.2600 -26.5300
35 O2x O 27.1600 -27.2300
36 C1x C 32.2700 -27.3000
37 C1a C 33.5452 -29.0111
38 C1a C 25.8951 -21.6747
39 O2a O 36.2551 -21.6747
40 O2a O 33.4500 -21.6834
41 O2a O 25.9651 -28.9353
42 O2a O 23.1749 -28.9353
43 C1a C 25.2722 -30.1237
44 C1a C 23.8678 -30.1237
45 C1a C 35.5622 -20.4863
46 C1a C 34.1353 -20.4736
BOND 52
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 7 8 1
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 1
12 7 12 1
13 9 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 10 16 1
18 17 18 1
19 17 11 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 18 23 2
26 24 25 1
27 24 21 1
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 25 30 2
34 26 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 27 34 1
39 16 35 1
40 36 31 1
41 2 35 1
42 5 36 1
43 32 37 1
44 12 38 1
45 29 39 1
46 30 40 1
47 15 41 1
48 14 42 1
49 41 43 1
50 42 44 1
51 39 45 1
52 40 46 1
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