ATOM 51
1 C8x C 17.2983 -22.3471
2 C8y C 17.2983 -20.9462
3 C8x C 18.4891 -20.2458
4 C8y C 19.7498 -20.9462
5 C8x C 19.7498 -22.3471
6 C8x C 18.4891 -23.0475
7 S4a S 16.1076 -20.2458
8 O1d O 16.8080 -19.0551
9 O1d O 15.4072 -21.4365
10 C1b C 20.9405 -20.2458
11 N2b N 22.1313 -20.9462 #+
12 C2y C 23.3220 -20.2458
13 C1b C 22.1313 -22.3471
14 C1a C 20.9405 -23.0475
15 C2x C 23.3220 -18.8449
16 C2x C 24.5828 -18.1445
17 C2y C 25.7735 -18.8449
18 C2x C 25.7735 -20.2458
19 C2x C 24.5828 -20.9462
20 C2c C 26.9642 -18.1445
21 C8y C 28.1549 -18.8449
22 C8y C 26.9642 -16.7437
23 C8x C 29.3457 -18.1445
24 C8x C 30.6064 -18.8449
25 C8y C 30.6064 -20.2458
26 C8x C 29.4157 -20.9462
27 C8x C 28.1549 -20.2458
28 C8x C 25.7735 -16.0432
29 C8x C 25.7735 -14.6424
30 C8y C 26.9642 -13.9420
31 C8x C 28.2250 -14.6424
32 C8x C 28.2250 -16.0432
33 N1c N 26.9642 -12.5411
34 C1a C 28.1549 -11.8407
35 C1a C 25.7735 -11.8407
36 N1c N 31.7972 -20.9462
37 C1b C 32.9879 -20.2458
38 C1b C 31.7972 -22.3471
39 C1a C 30.6064 -23.0475
40 C8y C 34.1786 -20.9462
41 C8x C 35.3693 -20.2458
42 C8x C 36.6301 -20.9462
43 C8y C 36.6301 -22.3471
44 C8x C 35.4394 -23.0475
45 C8x C 34.1786 -22.3471
46 S4a S 37.8208 -23.0475
47 O1d O 39.0816 -23.7479
48 O1d O 37.1204 -24.2382
49 O1d O 38.5213 -21.8568
50 O1d O 14.8952 -19.5458 #-
51 Z Na 11.6200 -19.6700 #+
BOND 54
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 7 8 2
9 7 9 2
10 4 10 1
11 10 11 1
12 11 12 2
13 11 13 1
14 13 14 1
15 12 15 1
16 15 16 2
17 16 17 1
18 17 18 1
19 18 19 2
20 12 19 1
21 17 20 2
22 20 21 1
23 20 22 1
24 21 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 21 27 1
30 22 28 2
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 22 32 1
36 30 33 1
37 33 34 1
38 33 35 1
39 25 36 1
40 36 37 1
41 36 38 1
42 38 39 1
43 37 40 1
44 40 41 2
45 41 42 1
46 42 43 2
47 43 44 1
48 44 45 2
49 40 45 1
50 43 46 1
51 46 47 1
52 46 48 2
53 46 49 2
54 7 50 1
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