ATOM 39
1 C8y C 29.3476 -21.3678
2 C8y C 30.5614 -20.6909
3 C8y C 29.3185 -22.7682
4 C8y C 28.1397 -20.6618
5 C8y C 31.7576 -21.4028
6 C8y C 30.5905 -19.2964
7 C8x C 28.1164 -23.4568
8 C1y C 30.5205 -23.4860
9 C8y C 26.9202 -21.3444
10 O1a O 28.1280 -19.2556
11 C1y C 31.7459 -22.8033
12 C8x C 33.0529 -20.7318
13 C8y C 31.8101 -18.6136
14 O1a O 29.3710 -18.5845
15 C8y C 26.9785 -22.7449
16 O1a O 30.5147 -24.8863
17 C5x C 25.7065 -20.6442
18 O1a O 32.9538 -23.4977
19 C8y C 33.0063 -19.3371
20 C5a C 31.8041 -17.2133
21 C5x C 25.6948 -23.4510
22 C8y C 24.4870 -21.3327
23 O5x O 25.6948 -19.2322
24 C1a C 34.2142 -18.6195
25 N1b N 33.0180 -16.5071
26 O5a O 30.5848 -16.5131
27 C8y C 24.4812 -22.7391
28 O5x O 25.6832 -24.8456
29 C8x C 23.2791 -20.6384
30 C1c C 33.0063 -15.1067
31 C8y C 23.2791 -23.4451
32 C8y C 22.0595 -21.3327
33 C6a C 34.2142 -14.4065
34 C1a C 31.7984 -14.4124
35 C8x C 22.0595 -22.7391
36 O1a O 23.3317 -24.8456
37 O1a O 20.8400 -20.6384
38 O6a O 35.4220 -15.1009
39 O6a O 34.2082 -13.0062
BOND 43
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 1 #Up
16 9 17 1
17 11 18 1 #Down
18 12 19 2
19 13 20 1
20 15 21 1
21 17 22 1
22 17 23 2
23 19 24 1
24 20 25 1
25 20 26 2
26 21 27 1
27 21 28 2
28 22 29 1
29 25 30 1
30 27 31 1
31 29 32 2
32 30 33 1
33 30 34 1
34 31 35 2
35 31 36 1
36 32 37 1
37 33 38 1
38 33 39 2
39 8 11 1
40 9 15 2
41 13 19 1
42 22 27 2
43 32 35 1
| 
