ATOM 25
1 C1y C 25.0718 -15.8137
2 C8y C 25.0602 -18.1895
3 C2y C 23.9336 -15.1657
4 C2y C 26.2101 -15.1657
5 C8y C 23.9161 -18.8492
6 C8x C 26.1927 -18.8492
7 C2y C 23.9336 -13.8522
8 C7a C 22.8010 -15.8137
9 C2y C 26.2101 -13.8522
10 C7a C 27.3427 -15.8137
11 C8x C 23.9161 -20.1509
12 N2b N 22.7953 -18.1895 #+
13 C8x C 26.1927 -20.1509
14 N1x N 25.0718 -13.1984
15 C1a C 22.8010 -13.1984
16 O7a O 21.6687 -15.1657
17 O6a O 22.8070 -17.0279
18 C1a C 27.3427 -13.1984
19 O7a O 28.4693 -15.1657
20 O6a O 27.3427 -17.1271
21 C8x C 25.0602 -20.8163
22 O3a O 24.2896 -17.2029
23 O3a O 20.9448 -19.4212 #-
24 C1a C 20.5362 -15.8137
25 C1a C 29.6018 -15.8137
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 1
15 8 16 1
16 8 17 2
17 9 18 1
18 10 19 1
19 10 20 2
20 11 21 1
21 12 22 2
22 12 23 1
23 16 24 1
24 19 25 1
25 9 14 1
26 13 21 2
|