ATOM 44
1 C8y C 28.7937 -15.0462
2 C8y C 29.9679 -15.7294
3 C1y C 27.6194 -15.7237
4 C8y C 28.7994 -13.6914
5 O2x O 28.6018 -19.0208
6 C8y C 31.1479 -15.0462
7 C1x C 27.6137 -17.0787
8 N1y N 26.4450 -15.0349
9 C8x C 29.9679 -13.0082
10 C1x C 27.6307 -13.0026
11 C8y C 29.8799 -19.6362
12 C8y C 31.1479 -13.6914
13 O1a O 32.3223 -15.7294
14 C8y C 26.4395 -17.7506
15 C1x C 26.4734 -13.6914
16 C1a C 25.2708 -15.6955
17 C8x C 29.8777 -20.9968
18 C8y C 30.9503 -18.8967
19 O2a O 32.3223 -13.0082
20 C8x C 26.4395 -19.1056
21 C8x C 25.2708 -17.0618
22 C8y C 31.1616 -21.6065
23 C8x C 32.2341 -19.5877
24 O2a O 30.9526 -17.5360
25 C1a C 33.6310 -13.6801
26 C8y C 25.2595 -19.7829
27 C8x C 24.0908 -17.7393
28 C1y C 31.1592 -22.9615
29 C8y C 32.2263 -20.8670
30 C1a C 32.2330 -16.8777
31 O2x O 25.2538 -21.1379
32 C8y C 24.0851 -19.0999
33 C1x C 30.0188 -23.7068
34 N1y N 32.3730 -23.5712
35 C1x C 33.4345 -21.4711
36 C8y C 26.4395 -21.7873
37 O1a O 22.9166 -19.7661
38 C8y C 28.8163 -23.0913
39 C1x C 33.4910 -22.8204
40 C1a C 32.4577 -24.9206
41 C8x C 27.6024 -21.0816
42 C8x C 26.4676 -23.1478
43 C8x C 28.8637 -21.7308
44 C8x C 27.6589 -23.7971
BOND 50
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1 #Up
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 6 13 1
13 7 14 1
14 8 15 1
15 8 16 1
16 11 17 1
17 11 18 2
18 12 19 1
19 14 20 1
20 14 21 2
21 17 22 2
22 18 23 1
23 18 24 1
24 19 25 1
25 20 26 2
26 21 27 1
27 22 28 1
28 22 29 1
29 24 30 1
30 26 31 1
31 26 32 1
32 28 33 1 #Up
33 28 34 1
34 29 35 1
35 31 36 1
36 32 37 1
37 33 38 1
38 34 39 1
39 34 40 1
40 36 41 2
41 36 42 1
42 38 43 2
43 38 44 1
44 9 12 1
45 10 15 1
46 23 29 2
47 27 32 2
48 35 39 1
49 41 43 1
50 42 44 2
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