ATOM 26
1 C1x C 27.2917 -15.9707
2 C1y C 26.1568 -15.1454
3 C1z C 25.0221 -15.9707
4 C1y C 25.4545 -17.2961
5 C1x C 25.0172 -18.6280
6 C5x C 26.1490 -19.4552
7 C1z C 26.8563 -17.3004
8 C1z C 27.2804 -18.6392
9 C2y C 28.6848 -18.6497
10 C2y C 29.1286 -17.3173
11 C5x C 27.9986 -16.4833
12 O1a O 27.6751 -19.9813
13 O1a O 29.4986 -19.7875
14 O5x O 26.1446 -20.8541
15 C1a C 23.8043 -16.6574
16 C1a C 23.8043 -15.2655
17 C2c C 26.1568 -13.7465
18 C2a C 27.3684 -13.0471
19 C1a C 24.9453 -13.0471
20 O5x O 28.0091 -15.0845
21 C5a C 30.3325 -16.6150
22 C1b C 31.5406 -17.3144
23 C1c C 32.7487 -16.6150
24 C1a C 33.9569 -17.3144
25 O5a O 30.3301 -15.2161
26 C1a C 32.7487 -15.2161
BOND 28
1 4 5 1
2 9 13 1
3 5 6 1
4 6 14 2
5 6 8 1
6 3 15 1
7 2 3 1
8 3 16 1
9 3 4 1
10 2 17 1 #Up
11 7 1 1 #Down
12 17 18 2
13 1 2 1
14 17 19 1
15 7 8 1
16 11 20 2
17 8 9 1
18 10 21 1
19 9 10 2
20 21 22 1
21 10 11 1
22 22 23 1
23 11 7 1
24 23 24 1
25 7 4 1
26 21 25 2
27 8 12 1 #Down
28 23 26 1
|