ATOM 18
1 C1z C 27.3944 -19.1572
2 C1z C 28.6111 -18.4585
3 C1y C 27.3885 -20.5545
4 C1x C 26.1833 -18.4526
5 C1a C 27.3828 -17.7539
6 C2y C 29.8223 -19.1629
7 C4a C 29.8164 -17.7481
8 O1a O 28.5997 -17.0494
9 C2y C 26.1833 -21.2532
10 C1x C 28.5997 -21.2590
11 C1x C 24.9664 -19.1572
12 C2x C 29.8164 -20.5662
13 C4a C 31.0275 -18.4642
14 O4a O 29.8106 -16.3507
15 C1y C 24.9664 -20.5545
16 C2a C 26.1892 -22.6505
17 O4a O 32.2385 -19.1745
18 C1a C 23.7554 -21.2532
BOND 19
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1 #Up
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 6 12 2
12 6 13 1
13 7 14 2
14 9 15 1
15 9 16 2
16 13 17 2
17 15 18 1 #Up
18 10 12 1
19 11 15 1
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