ATOM 18
1 C1y C 18.4088 -16.8151
2 N4y N 19.9761 -16.3527
3 O2x O 17.2922 -15.9777
4 C1y C 17.9901 -18.1412
5 C8y C 21.2524 -17.0022
6 C8x C 19.9447 -14.9819
7 C1y C 16.1755 -16.8151
8 C1y C 16.5943 -18.1412
9 N4x N 22.4109 -16.2331
10 O5x O 21.2837 -18.3730
11 C8y C 21.1032 -14.2128
12 C1b C 14.8495 -16.3964
13 O1a O 16.1755 -19.4672
14 C8y C 22.3824 -14.8815
15 C1a C 21.0744 -12.8613
16 O1a O 13.8026 -17.3037
17 O5x O 23.4709 -14.1125
18 O1a O 18.8152 -19.2670
BOND 19
1 1 2 1 #Up
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 8 13 1 #Down
13 9 14 1
14 11 15 1
15 12 16 1
16 14 17 2
17 7 8 1
18 11 14 1
19 4 18 1 #Up
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