ATOM 30
1 N5y N 16.3504 -16.9244 #+
2 C8y C 16.9911 -15.6838
3 C8y C 17.3346 -17.9148
4 C1b C 15.1387 -16.2313
5 S2x S 18.3657 -15.9109
6 C1c C 16.3619 -14.4372
7 C8y C 18.5754 -17.2856
8 C1a C 17.1772 -19.2952
9 C8y C 13.9329 -16.9304
10 C1b C 14.9757 -14.4258
11 O1a O 17.1308 -13.2724
12 C1b C 19.8161 -17.9264
13 C8y C 13.9329 -18.3341
14 C8x C 12.7097 -16.2371
15 C1b C 20.9869 -17.1692
16 N5x N 12.7097 -19.0507
17 N1a N 15.1387 -19.0331
18 N5x N 11.5098 -16.9304
19 O2b O 22.2276 -17.8099
20 C8y C 11.5098 -18.3341
21 P1b P 23.3985 -17.0526
22 C1a C 10.3040 -19.0331
23 O2c O 24.6390 -17.6934
24 O1c O 23.8236 -18.4505
25 P1b P 25.8100 -16.9360
26 O1c O 27.0447 -17.5711
27 O1c O 26.2352 -18.3340
28 O1c O 23.3985 -15.6567
29 O1c O 25.8100 -15.5402
30 C1a C 14.3466 -13.1017
BOND 31
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 6 10 1
10 6 11 1
11 7 12 1
12 9 13 2
13 9 14 1
14 12 15 1
15 13 16 1
16 13 17 1
17 14 18 2
18 15 19 1
19 16 20 2
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 1
24 23 25 1
25 25 26 1
26 25 27 1
27 5 7 1
28 18 20 1
29 21 28 2
30 25 29 2
31 10 30 1
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