ATOM 42
1 C1y C 20.8402 -21.0596
2 C1y C 20.8402 -22.4483
3 C1y C 22.0397 -23.1461
4 C1y C 23.2393 -22.4483
5 C1y C 23.2393 -21.0596
6 O2x O 22.0397 -20.3686
7 O2a O 24.4434 -20.3695
8 C1y C 26.6502 -19.2438
9 C1y C 27.0804 -17.9233
10 O2x O 25.9526 -17.1011
11 C1y C 24.8246 -17.9233
12 C1y C 25.2616 -19.2438
13 O2a O 28.6104 -17.4911
14 O1a O 28.9772 -20.2676
15 C1y C 30.1755 -19.5688
16 C1y C 31.3831 -20.2510
17 C1x C 32.5814 -19.5523
18 C1y C 32.5719 -18.1641
19 C1y C 31.3640 -17.4749
20 C1y C 30.1659 -18.1807
21 N1a N 31.3927 -21.6396
22 N1a N 33.7638 -17.4580
23 O2a O 31.3545 -16.0862
24 C1y C 32.5534 -15.3869
25 O2x O 33.7467 -16.0714
26 C1y C 35.0155 -15.3722
27 C1y C 35.0053 -13.9834
28 C1y C 33.7276 -13.2938
29 C1y C 32.5358 -13.9999
30 C1b C 36.1538 -16.0548
31 O1a O 36.1635 -17.4435
32 N1a N 31.3252 -13.3140
33 O1a O 33.7179 -11.9051
34 O1a O 36.1348 -13.2771
35 C1b C 23.5028 -17.4911
36 O1a O 27.4613 -20.3696
37 O1a O 22.4770 -18.4241
38 C1b C 19.6369 -20.3679
39 O1a O 19.6369 -23.1468
40 N1a N 24.4434 -23.1453
41 O1a O 22.0414 -24.5350
42 N1a N 18.4327 -21.0584
BOND 45
1 19 23 1 #Down
2 20 13 1 #Up
3 10 11 1
4 24 23 1 #Down
5 11 12 1
6 12 8 1
7 5 6 1
8 9 13 1 #Up
9 6 1 1
10 24 25 1
11 25 26 1
12 26 27 1
13 27 28 1
14 28 29 1
15 29 24 1
16 26 30 1 #Up
17 15 14 1 #Down
18 30 31 1
19 5 7 1 #Down
20 29 32 1 #Down
21 28 33 1 #Up
22 1 2 1
23 27 34 1 #Down
24 2 3 1
25 11 35 1 #Up
26 12 7 1 #Down
27 3 4 1
28 8 36 1 #Down
29 15 16 1
30 35 37 1
31 16 17 1
32 1 38 1 #Up
33 17 18 1
34 2 39 1 #Down
35 18 19 1
36 4 40 1 #Down
37 19 20 1
38 3 41 1 #Up
39 20 15 1
40 38 42 1
41 4 5 1
42 16 21 1 #Up
43 8 9 1
44 18 22 1 #Up
45 9 10 1
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