ATOM 48
1 C8y C 29.2633 -7.8237
2 C1y C 28.1452 -8.5226
3 C8y C 29.2633 -6.4960
4 C8y C 30.4513 -8.5226
5 N2y N 26.9573 -7.8237 #+
6 C1x C 28.1452 -9.8504
7 C8x C 30.4513 -5.7972
8 C1x C 28.0754 -5.7972
9 C8y C 31.6393 -7.8237
10 C1x C 26.9573 -6.4960
11 C1a C 25.8392 -7.1948
12 C8y C 26.9573 -10.8986
13 C8y C 31.6393 -6.4960
14 O2a O 32.7574 -8.5226
15 C8x C 25.8392 -10.2697
16 C8x C 26.9573 -12.2263
17 O2a O 32.7574 -5.7972
18 C8x C 24.6512 -10.8986
19 C8y C 25.9090 -12.9252
20 C1a C 33.8755 -6.4960
21 C8y C 24.6512 -12.2263
22 O2a O 23.4632 -12.9252
23 C1a C 25.8392 -8.5226
24 O2x O 30.4513 -9.8504
25 N2y N 31.8489 -15.3710 #+
26 C1y C 30.6610 -14.6722
27 C1x C 31.8489 -16.8385
28 C8y C 29.4730 -15.3710
29 C1x C 32.8273 -13.7637
30 C1x C 30.6610 -17.4674
31 C8y C 29.4730 -16.7686
32 C8x C 28.2850 -14.7421
33 C8x C 31.5694 -12.2962
34 C8x C 28.2850 -17.4674
35 C8y C 27.0970 -15.3710
36 C8y C 32.8273 -12.9950
37 C8x C 31.5694 -10.8986
38 C8y C 27.0970 -16.7686
39 O2x O 25.9090 -14.6722
40 C8x C 34.0153 -12.2962
41 C8y C 32.7574 -10.1998
42 O2a O 25.9090 -17.4674
43 C8x C 34.0153 -10.8287
44 C1a C 24.6512 -16.8385
45 C1a C 33.0369 -14.6722
46 C1a C 33.9883 -7.8683
47 C1a C 33.0613 -16.0710
48 C1a C 22.2460 -12.2356
BOND 54
1 21 22 1
2 8 10 1
3 9 13 1
4 19 21 1
5 23 5 1
6 4 24 1
7 1 2 1
8 1 3 2
9 1 4 1
10 2 5 1
11 2 6 1
12 3 7 1
13 3 8 1
14 4 9 2
15 5 10 1
16 5 11 1
17 6 12 1
18 7 13 2
19 9 14 1
20 12 15 2
21 12 16 1
22 13 17 1
23 15 18 1
24 16 19 2
25 17 20 1
26 18 21 2
27 25 26 1
28 25 27 1
29 26 28 1
30 26 29 1
31 27 30 1
32 28 31 2
33 28 32 1
34 31 34 1
35 32 35 2
36 33 36 2
37 33 37 1
38 34 38 2
39 35 39 1
40 36 40 1
41 37 41 2
42 38 42 1
43 40 43 2
44 42 44 1
45 30 31 1
46 35 38 1
47 41 43 1
48 25 45 1
49 24 41 1
50 19 39 1
51 36 29 1
52 14 46 1
53 25 47 1
54 22 48 1
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