ATOM 44
1 C8x C 32.4225 -15.7757
2 C8y C 32.4225 -14.3749
3 C8x C 31.2066 -13.6746
4 C8y C 29.9977 -14.3749
5 C8y C 29.9977 -15.7757
6 C8y C 31.2066 -16.4760
7 N2b N 33.6352 -13.6741 #+
8 O3a O 34.8487 -14.3737
9 O3a O 33.7045 -12.2733 #-
10 O1a O 28.7841 -16.4752
11 N2b N 28.7928 -13.6803 #+
12 O3a O 27.5739 -14.3853
13 O3a O 28.7925 -12.2486 #-
14 N2b N 31.2050 -17.8468 #+
15 O3a O 29.9979 -18.5418
16 O3a O 32.4220 -18.5514 #-
17 C8y C 17.3165 -15.6447
18 C7a C 18.5043 -16.3434
19 C8x C 17.3165 -14.2472
20 C8x C 16.1286 -16.3434
21 O7a O 19.7621 -15.6447
22 O6a O 18.5043 -17.7409
23 C8x C 16.1286 -13.5485
24 C8x C 14.8708 -15.6447
25 C1b C 20.9499 -16.3434
26 C8y C 14.8708 -14.2472
27 C1b C 22.1378 -15.6447
28 N1a N 13.6830 -13.5485
29 C1b C 23.3955 -16.3434
30 C1a C 24.5833 -15.6447
31 C8y C 17.3165 -15.6447
32 C7a C 18.5043 -16.3434
33 O7a O 19.7621 -15.6447
34 C1b C 20.9499 -16.3434
35 C1b C 22.1378 -15.6447
36 C1b C 23.3955 -16.3434
37 C1a C 24.5833 -15.6447
38 O6a O 18.5043 -17.7409
39 C8x C 17.3165 -14.2472
40 C8x C 16.1286 -13.5485
41 C8y C 14.8708 -14.2472
42 N1a N 13.6830 -13.5485
43 C8x C 14.8708 -15.6447
44 C8x C 16.1286 -16.3434
BOND 44
1 2 3 1
2 7 9 1
3 3 4 2
4 5 10 1
5 4 5 1
6 5 6 2
7 6 1 1
8 2 7 1
9 1 2 2
10 7 8 2
11 4 11 1
12 11 12 2
13 11 13 1
14 6 14 1
15 14 15 2
16 14 16 1
17 17 18 1
18 17 19 2
19 17 20 1
20 18 21 1
21 18 22 2
22 19 23 1
23 20 24 2
24 21 25 1
25 23 26 2
26 25 27 1
27 26 28 1
28 27 29 1
29 29 30 1
30 24 26 1
31 31 32 1
32 31 39 2
33 31 44 1
34 32 33 1
35 32 38 2
36 39 40 1
37 44 43 2
38 33 34 1
39 40 41 2
40 34 35 1
41 41 42 1
42 35 36 1
43 36 37 1
44 43 41 1
BRACKET 1 11.8300 -18.3400 11.8300 -12.5300
1 26.2500 -12.5300 26.2500 -18.3400
1 2
ORIGINAL 1 17 18 21 25 27 29 30 22 19 23 26 28 24 20
REPEAT 1 31 32 33 34 35 36 37 38 39 40 41 42 43 44
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