ATOM 21
1 C1x C 22.3052 -18.3173
2 C8y C 21.4608 -17.2047
3 C8y C 21.7969 -15.8442
4 C2y C 23.0614 -15.2645
5 C1x C 23.7148 -18.3426
6 C8y C 24.3183 -15.8885
7 C8y C 24.6056 -17.2610
8 C8x C 20.7870 -14.8731
9 C8x C 19.4414 -15.2623
10 C8x C 19.1053 -16.6228
11 C8x C 20.1151 -17.5936
12 C8x C 25.9404 -17.6993
13 C8x C 26.9875 -16.7623
14 C8x C 26.7004 -15.3898
15 C8x C 25.3653 -14.9515
16 C2b C 23.0131 -13.8858
17 C1b C 24.2404 -13.2028
18 C1b C 25.4120 -13.9042
19 N1c N 26.6375 -13.2223
20 C1a C 27.8756 -13.9629
21 C1a C 26.6596 -11.8503
BOND 23
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 4 16 2
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 19 21 1
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