ATOM 26
1 C8y C 28.8095 -14.5537
2 C1y C 29.9951 -15.2391
3 C8y C 28.8095 -13.1951
4 N4x N 27.6300 -15.2391
5 N1y N 31.1809 -14.5598
6 C1x C 30.0590 -16.6102
7 C8y C 26.4566 -13.1951
8 C1x C 29.9829 -12.5033
9 C8y C 26.4566 -14.5537
10 C1x C 32.3667 -15.2454
11 C1x C 31.1685 -13.1889
12 C1y C 31.1685 -17.3142
13 C8x C 25.2771 -12.5219
14 C8x C 25.2771 -15.2391
15 C2y C 32.3667 -16.6224
16 C1c C 31.1748 -18.7036
17 C8x C 24.1161 -13.1951
18 C8x C 24.1161 -14.5537
19 C2b C 33.5709 -17.3019
20 C7a C 29.9643 -19.4016
21 C4a C 32.3728 -19.4016
22 C1a C 33.5770 -18.6976
23 O7a O 29.9582 -20.7417
24 O6a O 28.8033 -18.7223
25 O4a O 32.3090 -20.7972
26 C1a C 28.7877 -21.3995
BOND 29
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 2
13 9 14 2
14 10 15 1
15 12 16 1 #Up
16 13 17 1
17 14 18 1
18 15 19 2
19 16 20 1
20 16 21 1
21 19 22 1
22 20 23 1
23 20 24 2
24 21 25 2
25 7 9 1
26 8 11 1
27 12 15 1
28 17 18 2
29 23 26 1
|