ATOM 18
1 C1x C 24.2595 -19.1186
2 C1x C 24.2595 -20.5206
3 C1x C 25.4776 -21.2251
4 N1y N 26.6825 -20.5206
5 C1x C 27.8947 -21.2302
6 C1x C 29.1128 -20.5309
7 C1x C 29.1187 -19.1290
8 C1y C 25.4776 -18.4211
9 C1y C 26.6856 -19.1237
10 C1y C 27.9015 -18.4350
11 C1x C 25.4855 -17.0226
12 N4y N 26.7014 -16.3270
13 C8y C 27.9060 -17.0351
14 C8x C 29.1191 -16.3419
15 C8x C 29.1275 -14.9472
16 C8x C 27.9231 -14.2458
17 C8y C 26.6401 -14.9322
18 O5x O 25.4854 -14.2291
BOND 21
1 8 9 1
2 9 10 1
3 10 13 1
4 12 11 1
5 11 8 1
6 3 4 1
7 9 4 1
8 4 5 1
9 5 6 1
10 6 7 1
11 7 10 1
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 16 17 1
17 17 12 1
18 8 1 1
19 17 18 2
20 1 2 1
21 2 3 1
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