ATOM 28
1 C2c C 28.6871 -19.4344
2 C7a C 27.4769 -18.7286
3 C2b C 29.9043 -18.7286
4 C1a C 28.6871 -20.8317
5 O7a O 27.5258 -17.0630
6 O6a O 26.2739 -19.4344
7 C1a C 29.9043 -17.3313
8 O7a O 27.4550 -14.4817
9 C7a C 28.7286 -13.7902
10 C1a C 29.9245 -14.4817
11 O6a O 28.7286 -12.4069
12 C1y C 25.2596 -15.0314
13 C1z C 25.7323 -16.3452
14 C1y C 23.8643 -15.0835
15 C1y C 26.0992 -13.9059
16 C7x C 24.6349 -17.2005
17 C1a C 25.7901 -17.5182
18 O7x O 23.4722 -16.4235
19 C2x C 22.9493 -13.9934
20 C1x C 25.7496 -12.5512
21 O6a O 24.6127 -18.5798
22 C2y C 21.5803 -14.1542
23 C2y C 24.4757 -11.9887
24 C1x C 21.0071 -12.8933
25 C1a C 20.9106 -15.3569
26 C2x C 23.2320 -12.6349
27 C1a C 24.5008 -10.6042
28 C1x C 22.0169 -11.9554
BOND 29
1 2 5 1
2 1 3 2
3 2 6 2
4 1 2 1
5 3 7 1
6 1 4 1
7 12 15 1
8 13 16 1
9 13 5 1 #Down
10 13 17 1 #Up
11 14 18 1
12 14 19 1
13 15 20 1
14 15 8 1 #Down
15 16 21 2
16 19 22 2
17 20 23 1
18 22 24 1
19 22 25 1
20 23 26 2
21 23 27 1
22 24 28 1
23 16 18 1
24 26 28 1
25 9 10 1
26 8 9 1
27 9 11 2
28 12 13 1
29 12 14 1
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