ATOM 44
1 C8x C 17.7369 -19.5084
2 C8x C 17.7369 -20.9096
3 C8x C 18.9471 -21.6135
4 C8x C 20.1572 -20.9096
5 C8y C 20.1572 -19.5084
6 C8x C 18.9471 -18.8114
7 C1b C 21.3720 -18.8123
8 C1c C 22.5857 -19.5103
9 N1b N 23.8006 -18.8141
10 C6a C 22.5847 -20.9112
11 O6a O 21.3699 -21.6145
12 O6a O 23.7986 -21.6162
13 C5a C 25.0143 -19.5120
14 N1b N 26.2292 -18.8160
15 O5a O 25.0133 -20.9131
16 C1c C 27.4429 -19.5139
17 C5a C 28.6507 -18.8177
18 C1y C 27.4419 -20.9150
19 C1x C 26.2304 -21.6120
20 C1x C 26.2294 -23.0131
21 N1x N 27.4431 -23.7109
22 C2y C 28.6509 -23.0148
23 N1x N 28.6519 -21.6138
24 N2a N 29.8648 -23.7128
25 N1b N 29.8645 -19.5157
26 O5a O 28.6517 -17.4168
27 C1c C 31.0792 -18.8196
28 C5a C 32.2931 -19.5174
29 C1b C 31.0804 -17.4184
30 C1c C 32.2951 -16.7154
31 C1a C 32.2961 -15.3142
32 C1a C 33.5088 -17.4203
33 N1b N 33.5078 -18.8214
34 O5a O 32.2921 -20.9185
35 C1c C 34.7217 -19.5193
36 C4a C 35.9364 -18.8231
37 C1b C 34.7205 -20.9204
38 C8y C 35.9344 -21.6251
39 C8x C 35.9280 -23.0212
40 C8x C 37.1417 -23.7190
41 C8x C 38.3495 -23.0230
42 C8x C 38.3505 -21.6219
43 C8x C 37.1437 -20.9170
44 O4a O 35.9374 -17.4222
BOND 46
1 22 23 1
2 23 18 1
3 5 6 2
4 22 24 2
5 10 12 1
6 17 25 1
7 6 1 1
8 17 26 2
9 9 13 1
10 25 27 1
11 27 28 1
12 13 14 1
13 27 29 1 #Up
14 5 7 1
15 29 30 1
16 13 15 2
17 30 31 1
18 1 2 2
19 30 32 1
20 14 16 1
21 28 33 1
22 8 7 1 #Down
23 28 34 2
24 16 17 1
25 33 35 1
26 2 3 1
27 35 36 1
28 16 18 1 #Down
29 35 37 1 #Down
30 8 9 1
31 37 38 1
32 3 4 2
33 8 10 1
34 4 5 1
35 10 11 2
36 18 19 1
37 38 39 2
38 39 40 1
39 40 41 2
40 41 42 1
41 42 43 2
42 43 38 1
43 19 20 1
44 20 21 1
45 36 44 2
46 21 22 1
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