ATOM 25
1 C1a C 18.3875 -15.2021
2 C1b C 19.5989 -14.5007
3 N1c N 20.8104 -15.1950
4 C1b C 22.0218 -14.4936
5 C1b C 23.2333 -15.1880
6 N1b N 24.4447 -14.4866
7 C1c C 25.6562 -15.1809
8 C7a C 26.8676 -14.4795
9 O7a O 28.0790 -15.1737
10 C1b C 29.2905 -14.4724
11 C1b C 30.5019 -15.1667
12 C1c C 31.7134 -14.4654
13 C1a C 32.9248 -15.1596
14 C1b C 20.8134 -16.5977
15 C1a C 22.0298 -17.2965
16 C8y C 25.6592 -16.5836
17 O6a O 26.8645 -13.0768
18 C1a C 31.7103 -13.0627
19 C8x C 24.4510 -17.2807
20 C8x C 24.4542 -18.6834
21 C8x C 25.6704 -19.3822
22 C8x C 26.8837 -18.6781
23 C8x C 26.8807 -17.2754
24 X Cl 30.5200 -17.7800
25 X Cl 30.5200 -17.7800
BOND 23
1 11 12 1
2 1 2 1
3 12 13 1
4 5 6 1
5 3 14 1
6 14 15 1
7 6 7 1
8 7 16 1
9 2 3 1
10 8 17 2
11 7 8 1
12 12 18 1
13 8 9 1
14 3 4 1
15 9 10 1
16 16 19 2
17 19 20 1
18 20 21 2
19 21 22 1
20 22 23 2
21 23 16 1
22 10 11 1
23 4 5 1
BRACKET 1 28.9100 -18.6200 28.9100 -16.8000
1 31.4300 -16.8000 31.4300 -18.6200
1 2
ORIGINAL 1 24
REPEAT 1 25
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