ATOM 23
1 N4y N 20.6529 -15.3989
2 C8y C 21.7165 -16.1352
3 C1y C 19.3616 -15.8137
4 C8x C 21.1322 -14.0023
5 C8y C 22.9495 -15.2294
6 N5x N 21.8509 -17.5551
7 O2x O 18.2279 -14.9664
8 C1x C 18.9349 -17.0644
9 N5x N 22.5755 -14.0140
10 C8y C 24.2059 -15.7846
11 C8y C 23.1774 -18.1454
12 C1y C 17.1234 -15.7554
13 C1y C 17.5558 -17.0644
14 N5x N 24.3695 -17.2689
15 N1a N 25.3103 -14.9606
16 C1b C 15.8028 -15.3287
17 O1a O 17.1058 -18.3850
18 O2b O 14.7626 -16.2638
19 P1b P 13.3659 -16.2638
20 O1c O 13.3601 -17.6661
21 O1c O 11.9693 -16.2638
22 O1c O 13.3601 -14.8671
23 N1a N 23.3260 -19.5213
BOND 25
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 10 14 2
14 10 15 1
15 12 16 1 #Up
16 13 17 1 #Down
17 16 18 1
18 18 19 1
19 19 20 1
20 19 21 1
21 19 22 2
22 5 9 1
23 11 14 1
24 12 13 1
25 11 23 1
|