ATOM 30
1 O2a O 28.6361 -17.6348
2 C1y C 27.4893 -18.4944
3 O2x O 26.3157 -17.8052
4 C1y C 27.4807 -19.8710
5 C1y C 25.1365 -18.4805
6 C1y C 26.2915 -20.5335
7 O1a O 28.6611 -20.5603
8 C1y C 25.1179 -19.8443
9 C1b C 23.9561 -17.7842
10 O1a O 26.2829 -21.9030
11 O1a O 23.9318 -20.5125
12 O1a O 22.7574 -18.4636
13 C1y C 27.5411 -15.2809
14 C1y C 27.4770 -13.9276
15 C1y C 28.6509 -15.9659
16 C2y C 26.1758 -15.6992
17 C1y C 26.1875 -13.4977
18 C2y C 28.6742 -13.2415
19 O2x O 29.8428 -15.2983
20 C2x C 25.3919 -14.5892
21 C1b C 25.3488 -16.6539
22 O7x O 26.5429 -12.1734
23 C7x C 28.3075 -11.9241
24 C2x C 29.8487 -13.9393
25 O6a O 29.0577 -10.7849
26 O7a O 23.5839 -16.6464
27 S2a S 21.1454 -16.6535
28 C7a C 22.3663 -15.9497
29 O6a O 22.3663 -14.5421
30 C1a C 19.9245 -15.9497
BOND 33
1 9 12 1
2 2 1 1 #Up
3 2 3 1
4 2 4 1
5 13 14 1
6 13 15 1
7 13 16 1
8 14 17 1
9 14 18 1
10 15 19 1
11 16 20 2
12 16 21 1
13 17 22 1
14 18 23 1
15 18 24 2
16 23 25 2
17 17 20 1
18 19 24 1
19 22 23 1
20 3 5 1
21 21 26 1
22 15 1 1 #Up
23 4 6 1
24 4 7 1 #Down
25 5 8 1
26 5 9 1 #Up
27 6 10 1 #Up
28 27 28 1
29 28 26 1
30 8 11 1 #Down
31 28 29 2
32 6 8 1
33 27 30 1
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