ATOM 46
1 C8x C 33.6555 -22.5107
2 C8x C 33.6354 -21.1844
3 C8x C 32.4621 -20.5386
4 C8x C 32.5022 -23.1986
5 C8y C 31.3288 -22.5458
6 C8y C 31.3857 -21.2192
7 N1y N 30.0221 -20.6965
8 C1z C 29.1892 -21.8306
9 C1z C 29.9963 -22.9663
10 C8x C 22.6430 -18.4793
11 C8x C 23.7782 -19.1772
12 C8y C 24.9579 -18.5430
13 C8x C 22.6115 -17.1432
14 C8x C 23.8671 -16.5127
15 C8y C 24.9952 -17.2036
16 C1z C 27.1065 -17.8555
17 C1z C 26.2950 -16.7249
18 N1y N 26.2778 -18.9876
19 C1x C 28.0986 -24.1180
20 C1y C 29.4320 -24.1595
21 C1y C 28.0476 -21.8295
22 C1y C 27.4173 -23.0511
23 N2y N 30.1071 -25.2922 #+
24 C1x C 31.3567 -24.9235
25 C1x C 31.6788 -23.6547
26 C2y C 26.7846 -24.2208
27 C1x C 28.9827 -25.9623
28 C1a C 30.7973 -26.8257
29 C2b C 25.3942 -24.2510
30 C1a C 24.6770 -23.0532
31 C1y C 29.2912 -19.3038
32 C1y C 27.2677 -20.4139
33 O1a O 28.8757 -20.7316
34 C1x C 28.3763 -15.5299
35 C1y C 27.0570 -15.5584
36 C1y C 28.4344 -17.8184
37 C1y C 29.0647 -16.6737
38 N2y N 26.3818 -14.4257 #+
39 C1x C 25.1181 -14.8014
40 C1x C 24.8031 -16.0701
41 C2y C 29.6974 -15.5040
42 C1x C 27.4990 -13.7554
43 C1a C 25.6917 -13.0390
44 C2b C 31.0878 -15.4739
45 C1a C 31.8050 -16.6717
46 O1a O 27.5991 -19.0633
BOND 57
1 24 25 1
2 9 25 1 #Up
3 1 2 1
4 22 26 1
5 10 11 2
6 23 27 1
7 27 26 1
8 11 12 1
9 23 28 1 #Down
10 12 15 2
11 26 29 2
12 14 13 2
13 29 30 1
14 13 10 1
15 7 31 1
16 14 15 1
17 21 32 1
18 31 32 1
19 2 3 2
20 8 33 1 #Up
21 6 7 1
22 7 8 1
23 16 36 1
24 37 34 1
25 34 35 1
26 35 17 1
27 16 17 1
28 17 15 1
29 36 37 1
30 12 18 1
31 35 38 1
32 18 16 1
33 38 39 1
34 8 9 1
35 39 40 1
36 17 40 1 #Up
37 9 5 1
38 37 41 1
39 8 21 1
40 38 42 1
41 42 41 1
42 22 19 1
43 38 43 1 #Down
44 19 20 1
45 41 44 2
46 20 9 1
47 44 45 1
48 18 32 1
49 36 31 1
50 3 6 1
51 16 46 1 #Up
52 5 4 1
53 21 22 1
54 4 1 2
55 20 23 1
56 5 6 2
57 23 24 1
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