ATOM 27
1 C1x C 19.6634 -10.3694
2 C8y C 18.8213 -9.2598
3 C8y C 19.1565 -7.9030
4 O2x O 20.4175 -7.3249
5 N1y N 21.0692 -10.3946
6 C8y C 21.6711 -7.9472
7 C8y C 21.9576 -9.3159
8 C8x C 18.1494 -6.9346
9 C8x C 16.8074 -7.3227
10 C8x C 16.4722 -8.6795
11 C8x C 17.4793 -9.6476
12 C8x C 23.2888 -9.7530
13 C8y C 24.3330 -8.8186
14 C8x C 24.0466 -7.4499
15 C8x C 22.7152 -7.0128
16 X Cl 25.6878 -9.2637
17 O5a O 21.0257 -12.8191
18 C5a C 21.7473 -11.6194
19 N1b N 23.1698 -11.6449
20 N1b N 23.8375 -12.8506
21 C5a C 25.2700 -12.8756
22 C1b C 25.9890 -11.6787
23 O5a O 25.9507 -14.1034
24 C1b C 27.3699 -11.7029
25 C1b C 28.0968 -10.4935
26 C1b C 29.4699 -10.5177
27 X Cl 30.1991 -9.3048
BOND 29
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 13 16 1
19 17 18 2
20 5 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 21 23 2
26 22 24 1
27 24 25 1
28 25 26 1
29 26 27 1
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