ATOM 49
1 C8x C 23.7608 -16.7400
2 C8x C 26.1943 -16.7400
3 C8x C 24.9811 -16.0341
4 C8y C 23.7608 -18.1446
5 N1x N 22.5420 -18.8459
6 C8y C 23.7636 -20.9587
7 C8y C 22.5503 -20.2522
8 C8y C 21.3342 -20.9542
9 C8x C 21.3317 -22.3557
10 C8x C 22.5450 -23.0553
11 C8x C 23.7609 -22.3603
12 C8y C 26.1943 -18.1446
13 C8y C 24.9775 -18.8374
14 N1y N 24.9728 -20.2383
15 C1y C 27.3360 -18.8457
16 C8y C 27.4012 -20.2466
17 C8y C 26.1895 -20.9399
18 C8x C 26.1817 -22.3334
19 C8y C 27.3853 -23.0335
20 C8y C 28.5278 -20.9537
21 C8y C 28.5883 -22.3439
22 N5x N 29.7885 -23.0436
23 N5x N 29.8075 -20.2632
24 C8y C 31.0076 -20.9701
25 C8y C 30.9951 -22.3581
26 C8x C 32.1917 -23.0594
27 C8x C 33.4010 -22.3798
28 C8x C 33.4135 -20.9918
29 C8y C 32.2168 -20.2834
30 C1a C 28.6187 -18.1512
31 C1c C 32.2295 -18.8791
32 O7a O 33.4530 -18.1912
33 C1a C 31.0186 -18.1693
34 C6a C 27.3790 -24.4379
35 O6a O 26.1587 -25.1384
36 O6a O 28.5863 -25.1492
37 C6a C 20.1181 -20.2461
38 O6a O 20.1208 -18.8416
39 O6a O 18.8997 -20.9496
40 C7a C 33.4655 -16.7866
41 C8y C 34.6889 -16.0917
42 O6a O 32.2544 -16.0700
43 C8y C 35.8979 -16.8098
44 C8x C 37.1214 -16.1149
45 C8x C 37.1338 -14.7103
46 C8x C 35.9228 -14.0009
47 C8y C 34.6992 -14.6888
48 O1a O 33.4877 -13.9802
49 C1a C 35.8841 -18.2144
BOND 56
1 20 21 1
2 21 22 2
3 22 25 1
4 24 23 1
5 23 20 2
6 9 10 1
7 10 11 2
8 11 6 1
9 4 5 1
10 5 7 1
11 6 14 1
12 24 25 2
13 25 26 1
14 26 27 2
15 27 28 1
16 28 29 2
17 29 24 1
18 12 2 2
19 15 30 1
20 12 13 1
21 29 31 1
22 13 14 1
23 31 32 1
24 17 14 1
25 31 33 1
26 16 15 1
27 19 34 1
28 15 12 1
29 34 35 2
30 2 3 1
31 34 36 1
32 3 1 2
33 8 37 1
34 37 38 2
35 1 4 1
36 37 39 1
37 32 40 1
38 16 17 2
39 40 41 1
40 17 18 1
41 40 42 2
42 18 19 2
43 19 21 1
44 20 16 1
45 13 4 2
46 6 7 2
47 41 43 2
48 43 44 1
49 44 45 2
50 45 46 1
51 46 47 2
52 47 41 1
53 7 8 1
54 47 48 1
55 8 9 2
56 43 49 1
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