ATOM 50
1 C1z C 28.4973 -15.7930
2 C1y C 28.4973 -17.1426
3 C1y C 28.4856 -14.4610
4 C1y C 29.4612 -15.0218
5 C1y C 27.3464 -15.1328
6 C1z C 27.3464 -17.8028
7 C1y C 29.5080 -17.9372
8 C1z C 30.7701 -17.6275
9 N1y N 26.8614 -16.5526
10 C1y C 30.6999 -15.3081
11 C1x C 29.3502 -13.7599
12 C1x C 26.1837 -15.7930
13 O2a O 27.3464 -13.7890
14 C1x C 26.8671 -18.9597
15 C1x C 26.1837 -17.1368
16 C1b C 27.8604 -18.9597
17 O2a O 29.2159 -19.2401
18 C1z C 31.2958 -16.4065
19 O1a O 31.5588 -18.7025
20 C1b C 25.6520 -15.8515
21 C1y C 31.3483 -14.2214
22 C1y C 30.5071 -13.2690
23 C1a C 26.1895 -13.1230
24 O7a O 27.8546 -20.2975
25 C1a C 30.4191 -20.4898
26 C1x C 32.8615 -15.6878
27 O1a O 32.4527 -17.0726
28 C1a C 24.4426 -16.5467
29 O2a O 33.6153 -13.0879
30 C1y C 31.6990 -13.0532
31 C7a C 26.8204 -20.8877
32 C1a C 34.8478 -13.7131
33 O2a O 32.5694 -11.9782
34 C8y C 26.8147 -22.0854
35 O6a O 25.7864 -20.2858
36 C1a C 31.8977 -10.5471
37 C8y C 25.7805 -22.6696
38 C8x C 27.8370 -22.6813
39 N1b N 24.7522 -22.0678
40 C8x C 25.7688 -23.8556
41 C8x C 27.8313 -23.8732
42 C5a C 23.7239 -22.6462
43 C8x C 26.7971 -24.4691
44 C1b C 22.7016 -22.0561
45 O5a O 23.7181 -23.8265
46 C1b C 21.6733 -22.6404
47 C7a C 20.6508 -22.0503
48 O7a O 19.6284 -22.6345
49 O6a O 20.6450 -20.8643
50 C1a C 18.2559 -21.9744
BOND 56
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 8 3 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1 #Down
14 6 15 1
15 6 16 1 #Up
16 7 17 1 #Up
17 8 18 1
18 8 19 1
19 9 20 1
20 10 21 1
21 11 22 1
22 13 23 1
23 16 24 1
24 17 25 1
25 18 26 1
26 18 27 1 #Up
27 20 28 1
28 21 29 1 #Down
29 22 30 1
30 24 31 1
31 29 32 1
32 30 33 1 #Up
33 31 34 1
34 31 35 2
35 33 36 1
36 34 37 2
37 34 38 1
38 37 39 1
39 37 40 1
40 38 41 2
41 39 42 1
42 40 43 2
43 42 44 1
44 42 45 2
45 44 46 1
46 46 47 1
47 47 48 1
48 47 49 2
49 48 50 1
50 7 8 1
51 9 14 1
52 10 18 1
53 12 15 1
54 21 22 1
55 26 30 1
56 41 43 1
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