ATOM 23
1 N4y N 25.7484 -15.8845
2 C8y C 24.4441 -15.4706
3 C1y C 24.9772 -17.9037
4 C8x C 26.5511 -14.7871
5 C8y C 24.4441 -14.0909
6 N5x N 23.2464 -16.1666
7 O2x O 23.8673 -17.1073
8 C1y C 24.5571 -19.2079
9 N5x N 25.7548 -13.6646
10 C8y C 23.2464 -13.4075
11 C8x C 22.0675 -15.4706
12 C1y C 22.7698 -17.9037
13 C1y C 23.1837 -19.2079
14 N1a N 25.3598 -20.3116
15 N5x N 22.0675 -14.0909
16 N1a N 23.2401 -12.2567
17 C1b C 21.4781 -17.4772
18 O1a O 22.3810 -20.3054
19 O2b O 20.4621 -18.3803
20 P1b P 19.0951 -18.3803
21 O1c O 17.7981 -18.3803
22 O1c O 19.0951 -17.0131
23 O1c O 19.0889 -19.7410
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 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 5 9 1
24 11 15 1
25 12 13 1
|