ATOM 40
1 C8x C 25.5958 -15.6766
2 C8x C 28.0314 -15.6766
3 C8x C 26.8172 -14.9772
4 C8y C 25.5958 -17.0823
5 N1x N 24.3760 -17.7914
6 C8y C 25.5987 -19.8989
7 C8y C 24.3843 -19.1988
8 C8y C 23.1743 -19.8943
9 C8x C 23.1718 -21.2970
10 C8x C 24.3791 -22.0043
11 C8x C 25.5960 -21.3016
12 C8y C 28.0314 -17.0823
13 C8y C 26.8136 -17.7829
14 N1y N 26.8089 -19.1849
15 C1y C 29.2441 -17.7912
16 C8y C 29.2393 -19.1932
17 C8y C 28.0266 -19.8800
18 C8x C 28.0188 -21.2746
19 C8y C 29.2234 -21.9825
20 C8y C 30.4441 -19.8938
21 C8y C 30.4346 -21.2852
22 N5x N 31.6357 -21.9926
23 N5x N 31.6547 -19.2099
24 C8y C 32.8488 -19.9102
25 C8y C 32.8362 -21.2994
26 C8x C 34.0338 -22.0084
27 C8x C 35.3141 -21.3211
28 C8x C 35.2567 -19.9319
29 C8y C 34.0589 -19.2300
30 C1a C 30.4649 -17.0890
31 C1c C 34.0716 -17.8246
32 O2a O 35.2962 -17.1290
33 C1a C 32.8598 -17.1071
34 C6a C 29.2171 -23.3881
35 O6a O 27.9958 -24.0820
36 O6a O 30.4325 -24.0928
37 R R 35.3087 -15.7233
38 C6a C 21.9576 -19.1800
39 O6a O 20.7451 -19.8800
40 O6a O 21.9626 -17.7801
BOND 46
1 16 17 2
2 17 18 1
3 18 19 2
4 19 21 1
5 20 16 1
6 13 4 2
7 6 7 2
8 7 8 1
9 8 9 2
10 20 21 1
11 21 22 2
12 22 25 1
13 24 23 1
14 23 20 2
15 9 10 1
16 10 11 2
17 11 6 1
18 4 5 1
19 5 7 1
20 6 14 1
21 24 25 2
22 25 26 1
23 26 27 2
24 27 28 1
25 28 29 2
26 29 24 1
27 12 2 2
28 15 30 1
29 12 13 1
30 29 31 1
31 13 14 1
32 31 32 1
33 17 14 1
34 31 33 1
35 16 15 1
36 19 34 1
37 15 12 1
38 34 35 2
39 2 3 1
40 34 36 1
41 3 1 2
42 1 4 1
43 32 37 1
44 8 38 1
45 38 39 1
46 38 40 2
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