ATOM 19
1 C1z C 29.1296 -16.6607
2 O2a O 27.9116 -15.9613
3 C1x C 30.2777 -17.4999
4 C2x C 29.5724 -15.3146
5 C3b C 29.1237 -18.0767
6 C1y C 26.6936 -16.6782
7 C1x C 31.4315 -16.6607
8 C2x C 30.9887 -15.3146
9 N3a N 29.1180 -19.4930
10 O2x O 25.4756 -16.0080
11 C1y C 26.6410 -18.0651
12 C1y C 24.2867 -16.7247
13 C1y C 25.5280 -18.7761
14 O1a O 27.9057 -18.7470
15 C1y C 24.3217 -18.1001
16 C1b C 23.0572 -16.0430
17 O1a O 25.5280 -20.1573
18 O1a O 23.1096 -18.8111
19 O1a O 21.8799 -16.7597
BOND 20
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 6 2 1 #Up
6 3 7 1
7 4 8 2
8 5 9 3
9 6 10 1
10 6 11 1
11 10 12 1
12 11 13 1
13 11 14 1 #Down
14 12 15 1
15 12 16 1 #Up
16 13 17 1 #Up
17 15 18 1 #Down
18 16 19 1
19 7 8 1
20 13 15 1
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