ATOM 47
1 C1y C 20.6453 -31.7563
2 C1y C 20.6641 -33.1579
3 O2x O 19.4144 -31.0749
4 C1y C 19.4674 -33.8865
5 N1b N 21.8975 -33.8344
6 C1y C 18.2776 -31.7979
7 C1y C 18.2367 -33.2052
8 O1a O 19.4891 -35.0731
9 C5a C 21.9323 -35.2315
10 C1b C 16.9820 -31.1191
11 O1a O 17.0350 -33.9309
12 C1a C 23.1557 -35.9022
13 O5a O 20.7385 -35.9550
14 O1a O 17.0279 -29.7147
15 C1z C 27.9275 -28.9870
16 C1z C 29.2118 -28.2865
17 C1y C 26.7191 -28.2690
18 C1x C 27.9275 -30.3879
19 C1a C 28.5458 -27.5743
20 C2y C 29.1592 -26.8914
21 C1x C 30.3442 -29.0046
22 C1a C 29.1301 -29.6817
23 C1z C 25.4993 -28.9695
24 C1x C 26.7308 -26.8680
25 C1x C 26.7075 -31.0768
26 C1y C 30.3792 -26.2083
27 C2x C 27.9508 -26.1850
28 C1x C 31.5642 -28.3157
29 C1y C 25.4934 -30.3763
30 C1x C 24.2909 -28.2631
31 C1a C 25.4876 -27.5685
32 C1z C 31.5759 -26.9205
33 C1x C 30.3968 -24.8190
34 C1z C 24.2909 -31.0708
35 C1x C 23.0709 -28.9695
36 C1x C 32.7901 -26.2434
37 C6a C 32.7785 -27.6210
38 C1z C 31.6167 -24.1302
39 C1y C 23.0709 -30.3763
40 C1a C 23.5788 -32.4251
41 C1a C 24.9798 -32.4951
42 C1x C 32.7376 -24.8483
43 O6a O 32.7668 -29.0279
44 O6a O 33.9866 -26.9088
45 C1a C 30.8987 -22.9221
46 C1a C 32.3055 -22.9221
47 O2a O 21.8626 -31.0708
BOND 52
1 4 7 1
2 4 8 1 #Up
3 5 9 1
4 6 10 1 #Up
5 7 11 1 #Down
6 9 12 1
7 9 13 2
8 10 14 1
9 6 7 1
10 1 2 1
11 1 3 1
12 2 4 1
13 2 5 1 #Down
14 3 6 1
15 15 16 1
16 15 17 1
17 15 18 1
18 15 19 1 #Up
19 16 20 1
20 16 21 1
21 16 22 1 #Down
22 17 23 1
23 17 24 1
24 18 25 1
25 20 26 1
26 20 27 2
27 21 28 1
28 23 29 1
29 23 30 1
30 23 31 1 #Up
31 26 32 1
32 26 33 1
33 29 34 1
34 30 35 1
35 32 36 1
36 32 37 1 #Up
37 33 38 1
38 34 39 1
39 34 40 1
40 34 41 1
41 36 42 1
42 37 43 2
43 37 44 1
44 38 45 1
45 38 46 1
46 39 47 1 #Up
47 24 27 1
48 25 29 1
49 28 32 1
50 35 39 1
51 38 42 1
52 1 47 1 #Up
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