ATOM 37
1 C1y C 13.7245 -16.0132
2 O2x O 12.5410 -15.3170
3 C1y C 11.3575 -16.0132
4 C1y C 11.3575 -17.4055
5 C1y C 12.4714 -18.1017
6 C1y C 13.7245 -17.4055
7 O1a O 15.1885 -18.1704
8 O1a O 12.4714 -19.4940
9 O1a O 10.1044 -18.1713
10 C1b C 10.1044 -15.3170
11 O1a O 8.9209 -16.0132
12 C8x C 24.8298 -16.1629
13 C8y C 24.1269 -17.3696
14 C8x C 24.8168 -18.5866
15 C8x C 26.2105 -18.5936
16 C8y C 26.9206 -17.3870
17 C8y C 26.2298 -16.1733
18 O2a O 26.9413 -14.9677
19 O1a O 28.3179 -17.3272
20 C1a C 28.3386 -14.9786
21 C8y C 16.6922 -13.7467
22 C8y C 15.9965 -14.9617
23 C8x C 16.7076 -16.1705
24 C8x C 18.1013 -16.1611
25 C8y C 18.7901 -14.9463
26 C8x C 18.0922 -13.7408
27 C1y C 21.9781 -16.2814
28 C1x C 22.4110 -14.9528
29 O2x O 21.2759 -14.1255
30 C1y C 20.1410 -14.9528
31 C1y C 20.5807 -16.2814
32 O2a O 15.9843 -12.5390
33 O2a O 14.5991 -14.9698
34 C1a C 14.5870 -12.5458
35 C1b C 22.7379 -17.3720
36 C1b C 19.7746 -17.4448
37 O1a O 18.3828 -17.4399
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Down
8 5 8 1 #Up
9 4 9 1 #Down
10 3 10 1 #Up
11 10 11 1
12 13 14 1
13 14 15 2
14 18 20 1
15 15 16 1
16 16 17 2
17 17 18 1
18 16 19 1
19 17 12 1
20 30 25 1
21 21 32 1
22 22 33 1
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 21 2
29 32 34 1
30 27 28 1
31 28 29 1
32 29 30 1
33 27 35 1
34 30 31 1
35 31 36 1
36 31 27 1
37 12 13 2
38 36 37 1
39 35 13 1
40 1 33 1 #Up
| 
