ATOM 47
1 C1x C 24.2659 -28.1017
2 C5x C 24.2659 -29.4885
3 C2x C 25.4669 -30.1819
4 C2y C 26.6680 -29.4885
5 C1z C 26.6680 -28.1017
6 C1x C 25.4669 -27.4083
7 C1x C 27.8690 -30.1819
8 C1y C 29.0700 -29.4885
9 C1y C 29.0700 -28.1017
10 C1y C 27.8690 -27.4083
11 C1y C 30.2711 -27.4083
12 C1z C 30.2711 -26.0214
13 C1x C 29.0700 -25.3280
14 C1x C 27.8690 -26.0214
15 C1x C 32.6731 -27.4083
16 C1x C 32.6731 -26.0214
17 C1y C 31.4721 -25.3280
18 O5x O 23.0649 -30.1819
19 C1a C 26.6680 -26.7150
20 C1a C 30.2711 -24.6349
21 O2a O 30.2564 -30.1735
22 C1y C 30.2564 -31.5604
23 O2x O 29.0315 -32.2677
24 C1y C 29.0316 -33.6545
25 C1y C 30.2327 -34.3478
26 C1y C 31.4576 -33.6405
27 C1y C 31.4575 -32.2537
28 C1b C 27.8472 -34.3386
29 O1a O 26.6662 -33.6568
30 O1a O 32.6773 -34.3446
31 O1a O 30.2328 -35.7293
32 N1b N 32.6696 -31.5535
33 C5a C 33.8672 -32.2448
34 C1a C 35.0365 -31.5694
35 O5a O 33.8679 -33.3713
36 C1c C 31.4721 -23.9412
37 C1b C 32.6785 -23.2477
38 C1b C 33.8796 -23.9412
39 C1b C 35.0806 -23.2477
40 C1c C 36.2816 -23.9412
41 C1b C 37.4827 -23.2477
42 O7a O 38.6837 -23.9412
43 C1a C 30.2758 -23.2489
44 C1a C 36.2816 -25.3279
45 C7a C 39.8888 -23.2455
46 C1a C 41.0750 -23.9305
47 O6a O 39.8888 -21.8611
BOND 51
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 2
22 5 19 1 #Up
23 12 20 1 #Up
24 8 21 1 #Down
25 22 21 1 #Up
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 22 27 1
32 24 28 1 #Up
33 28 29 1
34 26 30 1 #Up
35 25 31 1 #Down
36 27 32 1 #Down
37 32 33 1
38 33 34 1
39 33 35 2
40 17 36 1
41 36 37 1
42 37 38 1
43 38 39 1
44 39 40 1
45 40 41 1
46 41 42 1
47 36 43 1 #Down
48 40 44 1 #Down
49 42 45 1
50 45 46 1
51 45 47 2
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