ATOM 24
1 C8x C 24.6376 -16.7263
2 C8x C 24.6376 -18.1260
3 C8x C 25.8497 -18.8258
4 C8y C 27.0619 -18.1260
5 C8y C 27.0619 -16.7263
6 C8x C 25.8497 -16.0265
7 C1x C 28.2740 -18.8258
8 C1x C 29.4861 -18.1260
9 C1x C 29.4861 -16.7263
10 C1y C 28.2740 -16.0265
11 N4y N 28.2740 -14.6268
12 C8y C 29.4081 -13.8028
13 C8x C 28.9749 -12.4696
14 N5x N 27.5731 -12.4696
15 C8x C 27.1399 -13.8028
16 C7a C 30.6205 -14.5028
17 O7a O 31.8330 -13.8028
18 O6a O 30.6203 -15.8897
19 C1b C 33.0525 -14.5070
20 C1a C 34.2628 -13.8083
21 N2b N 36.8027 -17.4904 #+
22 O3a O 36.8027 -16.0912
23 O1b O 35.5434 -18.1900
24 O3a O 37.9921 -18.1900 #-
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 11 15 1
18 12 16 1
19 16 17 1
20 16 18 2
21 17 19 1
22 19 20 1
23 21 22 2
24 21 23 1
25 21 24 1
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