ATOM 21
1 C1y C 24.1685 -19.1542
2 C2y C 25.4025 -18.6822
3 N1y N 24.1449 -20.5460
4 C1y C 22.7476 -18.7755
5 C2x C 26.2523 -19.7779
6 C1b C 25.3968 -17.2849
7 C1x C 25.4784 -20.9307
8 C1x C 22.8466 -21.0297
9 C1x C 21.9666 -19.9400
10 O1a O 22.7359 -17.3780
11 O7a O 26.6019 -16.5867
12 C7a C 27.8012 -17.2790
13 C1d C 29.0064 -16.5810
14 O6a O 27.7955 -18.6706
15 C1c C 30.2116 -17.2732
16 C1a C 31.4108 -16.5693
17 O1a O 30.1999 -18.6646
18 O1a O 30.3282 -15.7547
19 C1c C 29.0025 -15.1865
20 C1a C 30.1999 -14.4839
21 C1a C 27.7896 -14.4898
BOND 22
1 2 5 2
2 2 6 1
3 3 7 1
4 3 8 1
5 4 9 1
6 4 10 1 #Up
7 6 11 1
8 11 12 1
9 12 13 1
10 12 14 2
11 13 15 1
12 15 16 1
13 15 17 1 #Down
14 5 7 1
15 8 9 1
16 13 18 1 #Down
17 1 2 1
18 13 19 1 #Up
19 1 3 1
20 1 4 1
21 19 20 1
22 19 21 1
|