ATOM 49
1 C1x C 22.3822 -22.1537
2 C1y C 22.3822 -23.5398
3 C1x C 23.5827 -24.2329
4 C1y C 24.7832 -23.5398
5 C1z C 24.7832 -22.1537
6 C1x C 23.5827 -21.4606
7 C1x C 25.9836 -24.2329
8 C1x C 27.1840 -23.5398
9 C1y C 27.1840 -22.1537
10 C1y C 25.9836 -21.4606
11 C1y C 28.3845 -21.4606
12 C1z C 28.3845 -20.0744
13 C1x C 27.1840 -19.3813
14 C1x C 25.9836 -20.0744
15 C1x C 30.7854 -21.4606
16 C1x C 30.7854 -20.0744
17 C1y C 29.5849 -19.3813
18 C1c C 29.5849 -17.9952
19 C1b C 30.7894 -17.2998
20 C1b C 31.9751 -17.9845
21 C1b C 33.1496 -17.3064
22 C1a C 28.3885 -17.3044
23 C1c C 34.3297 -17.9879
24 C1a C 35.5071 -17.3081
25 C1a C 34.3297 -19.3810
26 N1b N 21.1818 -24.2329
27 C5a C 19.9981 -23.5493
28 C1z C 18.8225 -24.2281
29 O2x O 17.6431 -23.5469
30 C1y C 16.4425 -24.2397
31 C1y C 16.4423 -25.6259
32 C1y C 17.6218 -26.3071
33 C1x C 18.8223 -25.6142
34 O5a O 19.9980 -22.1540
35 O2a O 19.8027 -25.2082
36 C1a C 19.8027 -26.5943
37 O1a O 17.6217 -27.6981
38 C1c C 15.2237 -23.5357
39 N1b N 15.2294 -26.3261
40 C5a C 15.2294 -27.7123
41 C1a C 14.0456 -28.3957
42 O5a O 16.4342 -28.4079
43 C1c C 14.0364 -24.2211
44 C1b C 12.8628 -23.5433
45 O1a O 15.2239 -22.1538
46 O1a O 14.0359 -25.6188
47 O1a O 11.6821 -24.2250
48 C1a C 24.7832 -20.7675
49 C1a C 28.3845 -18.6883
BOND 53
1 1 2 1
2 2 3 1
3 3 4 1
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 17 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 18 22 1 #Down
26 21 23 1
27 23 24 1
28 23 25 1
29 2 26 1 #Down
30 26 27 1
31 28 27 1 #Up
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 28 33 1
38 27 34 2
39 28 35 1 #Down
40 35 36 1
41 32 37 1 #Down
42 30 38 1
43 31 39 1 #Up
44 39 40 1
45 40 41 1
46 40 42 2
47 38 43 1
48 43 44 1
49 38 45 1 #Up
50 43 46 1 #Down
51 44 47 1
52 5 48 1 #Up
53 12 49 1 #Up
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