ATOM 18
1 C1z C 26.8850 -20.4669
2 C8y C 28.0217 -21.1222
3 C2y C 26.8907 -19.1429
4 C2x C 25.7247 -19.7985
5 N1a N 25.7352 -21.1281
6 C8y C 29.1773 -20.4714
7 C8x C 28.0041 -22.4391
8 C1y C 28.0334 -18.4876
9 C2b C 25.7247 -18.4816
10 C2y C 26.6850 -17.1495
11 C1x C 29.1830 -19.1488
12 N4x N 30.3081 -21.1573
13 C8x C 29.1422 -23.1120
14 C1x C 28.0288 -17.1495
15 C1a C 24.5983 -19.1429
16 C8y C 30.2906 -22.4741
17 O5x O 31.4402 -23.1237
18 C1a C 25.9109 -16.0470
BOND 20
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1 #Down
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 2
10 6 11 1
11 6 12 1
12 7 13 2
13 8 14 1 #Up
14 9 15 1
15 12 16 1
16 16 17 2
17 8 11 1
18 13 16 1
19 14 10 1
20 10 18 1
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