ATOM 46
1 C8y C 29.0245 -27.9063
2 C2y C 27.7501 -28.4581
3 N4x N 29.1220 -26.5090
4 C8y C 30.3906 -28.4275
5 C2y C 26.4385 -27.9315
6 C8y C 30.4757 -26.1916
7 C8y C 31.2174 -27.3675
8 C1y C 25.2015 -28.5559
9 N2x N 26.2172 -26.5464
10 C1b C 30.9783 -24.9412
11 N1x N 26.1199 -23.5504
12 C1y C 24.2082 -27.6301
13 C2y C 24.8587 -26.3191
14 C8y C 30.4637 -23.6850
15 C5x C 26.2978 -22.1653
16 C1y C 24.7348 -23.7955
17 C1b C 24.2938 -25.0882
18 C8y C 31.0949 -22.4224
19 N4x N 29.0847 -23.4770
20 C2y C 25.0355 -21.5784
21 C4a C 27.7722 -21.4859
22 C2y C 24.0735 -22.5764
23 C8y C 30.1030 -21.4609
24 C8y C 28.8586 -22.1113
25 C2b C 25.0234 -20.1622
26 C1a C 22.6706 -22.5764
27 C1a C 30.0838 -20.0516
28 C1b C 32.4788 -22.1900
29 C1a C 33.4217 -23.3353
30 C5x C 29.9095 -29.8364
31 C1b C 25.1449 -29.9421
32 C1b C 23.9174 -30.5787
33 C6a C 23.8536 -31.9649
34 O6a O 22.6261 -32.6090
35 O6a O 25.0244 -32.7071
36 C1a C 22.7289 -27.6982
37 C1a C 32.5667 -27.4326
38 C1y C 28.3591 -29.8107
39 O5x O 30.7574 -31.0488
40 C7a C 27.5490 -31.0486
41 O6a O 26.0706 -30.9663
42 O7a O 28.2170 -32.3757
43 C1a C 27.3994 -33.6131
44 O4a O 27.7722 -20.1435
45 C2a C 23.8003 -19.4698
46 O5x O 26.7924 -21.2468
BOND 50
1 14 18 2
2 14 19 1
3 15 20 1
4 16 22 1
5 18 23 1
6 19 24 1
7 20 25 1
8 22 26 1
9 23 27 1
10 6 7 2
11 12 13 1
12 16 17 1
13 20 22 2
14 21 24 1
15 23 24 2
16 18 28 1
17 28 29 1
18 1 2 1
19 4 30 1
20 1 3 1
21 8 31 1 #Up
22 1 4 2
23 31 32 1
24 2 5 2
25 32 33 1
26 3 6 1
27 33 34 1
28 4 7 1
29 33 35 2
30 5 8 1
31 12 36 1 #Down
32 5 9 1
33 7 37 1
34 6 10 1
35 8 12 1
36 2 38 1
37 38 30 1
38 9 13 2
39 30 39 2
40 10 14 1
41 38 40 1 #Down
42 11 15 1
43 40 41 2
44 11 16 1
45 40 42 1
46 13 17 1
47 42 43 1
48 21 44 2
49 25 45 2
50 15 46 2
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