ATOM 43
1 C8y C 26.6360 -18.3568
2 N2y N 27.9595 -18.7939 #+
3 C8y C 26.6479 -16.9615
4 C8x C 25.4202 -19.0395
5 C1y C 28.7978 -17.6681
6 C2b C 27.9595 -20.1952
7 C1x C 27.9774 -16.5302
8 C8x C 25.4501 -16.2487
9 C8y C 24.2224 -18.3328
10 C6a C 30.1933 -17.6621
11 C2b C 29.1752 -20.9019
12 C8y C 24.2344 -16.9375
13 O1a O 23.0067 -19.0155
14 O6a O 30.8939 -18.8778
15 O6a O 30.8939 -16.4464
16 C2y C 29.1752 -22.3093
17 O2a O 23.0368 -16.2189
18 C1x C 27.9595 -23.0040
19 C2x C 30.3848 -23.0040
20 C1y C 23.0427 -14.8234
21 C1y C 27.9595 -24.4054
22 C2y C 30.3848 -24.4054
23 O2x O 24.2464 -14.1228
24 C1y C 21.8211 -14.1228
25 N1x N 29.1752 -25.1121
26 C6a C 26.7438 -25.1121
27 C6a C 31.6005 -25.1121
28 C1y C 24.2464 -12.7215
29 C1y C 21.8211 -12.7274
30 O1a O 20.6054 -14.8295
31 O6a O 25.5281 -24.4054
32 O6a O 26.7438 -26.5134
33 O6a O 31.6005 -26.5134
34 O6a O 32.8162 -24.4054
35 C1y C 23.0368 -12.0207
36 C1b C 25.4621 -12.0207
37 O1a O 20.6054 -12.0268
38 O1a O 23.0368 -10.6254
39 O2a O 25.4562 -10.6134
40 S4a S 26.6538 -9.9187
41 O1d O 27.6420 -8.9246
42 O1d O 25.6658 -8.9246
43 O1d O 27.8636 -10.6134 #-
BOND 46
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1 #Up
10 6 11 1
11 8 12 2
12 9 13 1
13 10 14 1
14 10 15 2
15 11 16 2
16 12 17 1
17 16 18 1
18 16 19 1
19 20 17 1 #Up
20 18 21 1
21 19 22 2
22 20 23 1
23 20 24 1
24 21 25 1
25 21 26 1 #Up
26 22 27 1
27 23 28 1
28 24 29 1
29 24 30 1 #Down
30 26 31 1
31 26 32 2
32 27 33 1
33 27 34 2
34 28 35 1
35 28 36 1 #Up
36 29 37 1 #Up
37 35 38 1 #Down
38 36 39 1
39 39 40 1
40 40 41 2
41 40 42 2
42 40 43 1
43 5 7 1
44 9 12 1
45 22 25 1
46 29 35 1
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