ATOM 38
1 C8x C 9.3100 -18.9700
2 C8y C 9.3100 -20.3700
3 C8x C 10.5224 -21.0700
4 C8x C 11.7349 -20.3700
5 C8y C 11.7349 -18.9700
6 C8x C 10.5224 -18.2700
7 C2c C 12.9724 -18.2700
8 C8y C 14.1849 -18.9700
9 C8x C 14.1849 -20.3698
10 C8x C 15.3973 -21.0698
11 C8y C 16.6097 -20.3698
12 C8x C 16.6097 -18.9700
13 C8y C 15.3973 -18.2700
14 N1c N 8.0976 -21.0700
15 C1b C 6.9021 -20.3796
16 C1b C 8.0975 -22.4698
17 C1a C 5.7147 -21.0651
18 C1a C 6.9019 -23.1602
19 S4a S 17.8074 -21.0614
20 O1d O 19.0198 -21.7614 #-
21 O1d O 17.0971 -22.2922
22 O1d O 18.4965 -19.8673
23 C2y C 12.9785 -16.8703
24 C2x C 14.1724 -16.2576
25 C2x C 14.1083 -14.7876
26 C2y C 12.9688 -14.0826
27 C2x C 11.7748 -14.7653
28 C2x C 11.7690 -16.1652
29 S4a S 15.3973 -17.1500
30 O1d O 15.3973 -15.7500 #-
31 O1d O 14.2773 -17.1500
32 O1d O 16.7973 -17.1500
33 N2b N 12.9688 -12.6826 #+
34 C1b C 14.1724 -11.9875
35 C1b C 11.7368 -11.9714
36 C1a C 10.5425 -12.6612
37 C1a C 15.3530 -12.6690
38 Z Na 20.7200 -22.1900 #+
BOND 39
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 2 14 1
16 14 15 1
17 14 16 1
18 15 17 1
19 16 18 1
20 11 19 1
21 19 20 1
22 19 21 2
23 19 22 2
24 7 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 1
29 27 28 2
30 23 28 1
31 13 29 1
32 29 30 1
33 29 31 2
34 29 32 2
35 26 33 2
36 33 34 1
37 33 35 1
38 35 36 1
39 34 37 1
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