ATOM 34
1 C1z C 24.1729 -15.9835
2 C1y C 22.9408 -15.2594
3 C1y C 25.4167 -15.2770
4 C1y C 24.1612 -17.4142
5 C1x C 24.4298 -14.9558
6 C1z C 21.7030 -15.9661
7 C1z C 22.9525 -13.8289
8 C1y C 26.6545 -16.0069
9 C1y C 25.4284 -13.8465
10 C1x C 22.9291 -18.1207
11 O7x O 25.3992 -18.1324
12 O2x O 23.9918 -14.1499
13 C1y C 21.6972 -17.4025
14 C1y C 20.4592 -15.2537
15 C1a C 21.6854 -14.8155
16 C1y C 24.2022 -13.1224
17 O1a O 21.9304 -12.9591
18 C7x C 26.6428 -17.4317
19 O7a O 27.8749 -15.3238
20 C1a C 26.6721 -13.1399
21 C2y C 20.4592 -18.1149
22 C5x C 19.2214 -15.9661
23 O1a O 20.4592 -13.8231
24 O1a O 24.2139 -11.6917
25 O6a O 27.8808 -18.1558
26 C7a C 29.1070 -16.0303
27 C2x C 19.2214 -17.4025
28 C1a C 20.4651 -19.5512
29 O5x O 17.9717 -15.2537
30 C1b C 30.3508 -15.3179
31 O6a O 29.1129 -17.4667
32 C1c C 31.5829 -16.0186
33 C1a C 32.8266 -15.3062
34 C1a C 31.5886 -17.4608
BOND 38
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 6 13 1
13 6 14 1
14 6 15 1 #Up
15 7 16 1
16 7 17 1
17 8 18 1
18 8 19 1 #Up
19 9 20 1 #Down
20 13 21 1
21 14 22 1
22 14 23 1 #Up
23 16 24 1 #Down
24 18 25 2
25 19 26 1
26 21 27 2
27 21 28 1
28 22 29 2
29 26 30 1
30 26 31 2
31 30 32 1
32 32 33 1
33 32 34 1
34 7 12 1 #Up
35 9 16 1
36 10 13 1
37 11 18 1
38 22 27 1
|