ATOM 36
1 N5y N 24.9029 -17.9904 #+
2 C8x C 25.6357 -19.1867
3 C8x C 27.0381 -19.1512
4 C8y C 27.7014 -17.9230
5 C8x C 26.9756 -16.7269
6 C8x C 25.5793 -16.7588
7 O2x O 18.6154 -16.7761
8 C1x C 19.3098 -17.9907
9 C1y C 20.7126 -17.9919
10 N1y N 21.4148 -16.7818
11 C1y C 20.7134 -15.5670
12 C1x C 19.3167 -15.5622
13 C1a C 21.4200 -14.3551
14 C1a C 21.4058 -19.2007
15 C5a C 22.8132 -16.7803
16 O5a O 23.5027 -15.5629
17 C1b C 23.5027 -17.9904
18 C8y C 29.1036 -17.9200
19 C8x C 29.8001 -19.1277
20 C8x C 31.1953 -19.1247
21 N5y N 31.8938 -17.9139 #+
22 C8x C 31.1899 -16.7065
23 C8x C 29.7949 -16.7095
24 C1b C 33.2939 -17.9109
25 C5a C 33.9797 -16.6888
26 O5a O 33.2691 -15.4715
27 N1y N 35.3799 -16.6888
28 C1y C 36.0836 -17.9022
29 C1x C 37.4837 -17.9022
30 O2x O 38.1803 -16.6888
31 C1x C 37.4837 -15.4753
32 C1y C 36.0836 -15.4753
33 C1a C 35.3658 -14.2542
34 C1a C 35.3728 -19.1092
35 X Cl 24.2557 -21.4873 #-
36 X Cl 31.5804 -21.6984 #-
BOND 37
1 15 17 1
2 17 1 1
3 4 18 1
4 1 2 1
5 2 3 2
6 3 4 1
7 7 8 1
8 8 9 1
9 18 19 1
10 19 20 2
11 20 21 1
12 21 22 2
13 22 23 1
14 23 18 2
15 9 10 1
16 21 24 1
17 10 11 1
18 24 25 1
19 11 12 1
20 25 26 2
21 12 7 1
22 25 27 1
23 4 5 2
24 11 13 1
25 5 6 1
26 9 14 1
27 6 1 2
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 32 27 1
34 10 15 1
35 32 33 1
36 28 34 1
37 15 16 2
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