ATOM 24
1 C1c C 26.3755 -21.6836
2 C5a C 27.6383 -22.3150
3 N1b N 25.1830 -22.3852
4 C1b C 26.3755 -20.2806
5 N1b N 28.8308 -21.6134
6 O5a O 27.7084 -23.9284
7 C5a C 23.9905 -21.7537
8 S2a S 27.5681 -19.5792
9 C1b C 30.0234 -22.2448
10 C1b C 22.7979 -22.4553
11 O5a O 23.9905 -20.3508
12 C6a C 31.2159 -21.5434
13 C1b C 21.6053 -21.8239
14 O6a O 32.4085 -22.1747
15 O6a O 31.2159 -20.1403
16 C1c C 20.4128 -22.5955
17 C6a C 19.1501 -21.8941
18 N1a N 20.4128 -23.9284
19 O6a O 18.0277 -22.7358
20 O6a O 19.2202 -20.4911
21 X Cl 25.1830 -18.1059
22 C5a C 26.3755 -17.4045
23 C1b C 27.5681 -18.1059
24 O5a O 26.3755 -16.0014
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 1
8 5 9 1
9 7 10 1
10 7 11 2
11 9 12 1
12 10 13 1
13 12 14 1
14 12 15 2
15 13 16 1
16 16 17 1
17 16 18 1 #Down
18 17 19 1
19 17 20 2
20 21 22 1
21 22 23 1
22 23 8 1
23 22 24 2
|