ATOM 28
1 C2y C 22.2417 -17.3182
2 C1x C 21.0173 -18.0004
3 C2x C 23.4426 -18.0237
4 C2b C 22.2475 -15.9190
5 C1y C 21.0056 -19.4054
6 C2y C 23.4310 -19.4228
7 C2b C 21.0406 -15.2136
8 N1x N 22.2184 -20.1167
9 C6a C 19.7873 -20.0991
10 C6a C 24.6321 -20.1400
11 N2b N 21.0290 -13.8027
12 O6a O 18.5862 -19.3821
13 O6a O 19.7697 -21.4983
14 O6a O 24.6145 -21.5392
15 O6a O 25.8506 -19.4461
16 C1c C 21.8510 -12.6717
17 C1b C 21.0290 -11.5408
18 C6a C 23.2502 -12.6660
19 C2y C 19.6997 -11.9780
20 O6a O 23.9382 -13.8785
21 O6a O 23.9382 -11.4475
22 C2x C 18.4929 -11.2725
23 C2x C 19.6997 -13.3712
24 C5x C 17.2803 -11.9780
25 C2x C 18.4929 -14.0768
26 C5x C 17.2803 -13.3772
27 O5x O 16.0618 -11.2725
28 O5x O 16.0618 -14.0709
BOND 29
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 5 9 1 #Down
9 6 10 1
10 7 11 2
11 9 12 1
12 9 13 2
13 10 14 1
14 10 15 2
15 11 16 1
16 16 17 1
17 16 18 1 #Up
18 17 19 1
19 18 20 1
20 18 21 2
21 19 22 2
22 19 23 1
23 22 24 1
24 23 25 2
25 24 26 1
26 24 27 2
27 26 28 2
28 6 8 1
29 25 26 1
|