ATOM 20
1 C1c C 26.3651 -16.2402
2 O7a O 25.1467 -16.9398
3 C1b C 27.5778 -16.9339
4 C1b C 26.3594 -14.8352
5 C7a C 23.9343 -16.2402
6 N1d N 27.5835 -18.3389 #+
7 C6a C 27.5778 -14.1299
8 C1b C 22.7218 -16.9398
9 O6a O 23.9343 -14.8411
10 C1a C 28.8662 -18.9684
11 C1a C 26.3651 -19.0442
12 C1a C 27.9450 -19.8313
13 O6a O 27.5719 -12.7308
14 O6a O 28.7903 -14.8352 #-
15 C1b C 21.5151 -16.2460
16 C1b C 20.3083 -16.9455
17 C1b C 19.0957 -16.2576
18 C1b C 17.8832 -16.9514
19 C1b C 16.6706 -16.2635
20 C1a C 15.4581 -16.9631
BOND 19
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 2
9 6 10 1
10 6 11 1
11 6 12 1
12 7 13 2
13 7 14 1
14 8 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
|