ATOM 28
1 C1y C 21.8026 -16.4667
2 C1z C 21.7967 -15.0805
3 C1y C 22.9949 -17.1621
4 C1z C 20.5914 -17.1621
5 C1z C 22.9949 -14.3898
6 C1x C 20.5914 -14.3839
7 C1a C 21.7850 -13.6943
8 C2x C 24.1945 -16.4784
9 C1x C 19.3803 -16.4667
10 C1a C 19.3744 -17.8529
11 C2y C 24.1945 -15.0922
12 C1x C 22.9366 -13.0036
13 O1a O 23.0532 -15.7700
14 C1x C 19.3803 -15.0805
15 C1x C 25.3985 -14.4073
16 C1x C 24.2178 -12.3257
17 C1z C 25.3985 -13.0211
18 C1b C 26.6037 -12.3199
19 C1a C 25.3985 -11.6291
20 C1b C 27.8090 -13.0153
21 O2a O 29.0017 -12.3199
22 S4a S 30.2070 -13.0094
23 O1d O 30.2711 -11.6115
24 O1d O 30.2711 -14.3956
25 O1d O 31.4052 -12.3199 #-
26 C7x C 20.9553 -18.5231
27 O7x O 22.6187 -18.5231
28 O6a O 20.0906 -19.6438
BOND 31
1 1 4 1
2 2 5 1
3 2 6 1
4 2 7 1 #Up
5 3 8 1
6 4 9 1
7 4 10 1 #Down
8 5 11 1
9 5 12 1
10 5 13 1 #Down
11 6 14 1
12 11 15 1
13 12 16 1
14 15 17 1
15 17 18 1 #Down
16 17 19 1 #Up
17 18 20 1
18 20 21 1
19 21 22 1
20 22 23 2
21 22 24 2
22 22 25 1
23 8 11 2
24 9 14 1
25 16 17 1
26 4 26 1
27 1 2 1
28 3 27 1
29 26 27 1
30 1 3 1
31 26 28 2
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