ATOM 41
1 C1y C 24.4245 -22.0533
2 C8x C 18.3333 -22.0321
3 C8x C 19.5465 -22.7309
4 C8y C 20.7526 -22.0321
5 C8x C 20.7526 -20.6346
6 C7x C 24.8595 -20.7250
7 O7x O 23.7257 -19.9004
8 C1x C 22.5921 -20.7250
9 C1y C 23.0269 -22.0533
10 C1b C 21.8821 -22.6978
11 C8y C 18.3333 -20.6346
12 C8y C 19.5465 -19.9443
13 O2x O 19.2650 -18.5771
14 C1x C 17.8778 -18.4228
15 O2x O 17.3020 -19.6941
16 O6a O 26.0481 -20.0832
17 C1c C 25.5975 -22.7331
18 C8y C 26.7751 -22.0533
19 C8x C 28.0518 -22.7583
20 C8y C 29.2619 -22.0595
21 C8y C 29.2619 -20.6620
22 C8y C 28.0518 -19.9633
23 C8x C 26.8414 -20.6620
24 O2a O 28.0518 -18.5657
25 O2a O 30.4723 -19.9633
26 O2a O 30.4723 -22.7583
27 O2a O 25.6207 -24.2483
28 C1a C 29.2619 -17.8670
29 C1a C 31.6826 -22.0595
30 C1y C 21.7283 -25.0459
31 C1y C 21.7283 -26.4434
32 C1y C 22.9416 -27.1421
33 C1y C 24.1477 -26.4434
34 C1y C 24.1477 -25.0459
35 O2x O 22.9416 -24.3471
36 C1b C 20.5183 -24.3466
37 O1a O 19.3078 -25.0447
38 O1a O 20.5183 -27.1428
39 O1a O 22.9432 -28.5397
40 O1a O 25.3585 -27.1413
41 C1a C 30.4723 -18.5657
BOND 45
1 10 4 1
2 3 4 2
3 4 5 1
4 5 12 2
5 11 12 1
6 12 13 1
7 13 14 1
8 14 15 1
9 15 11 1
10 6 16 2
11 11 2 2
12 1 6 1
13 6 7 1
14 7 8 1
15 1 17 1
16 8 9 1
17 9 1 1
18 2 3 1
19 9 10 1 #Up
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 18 1
26 22 24 1
27 21 25 1
28 20 26 1
29 17 27 1 #Up
30 24 28 1
31 26 29 1
32 17 18 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 34 35 1
38 35 30 1
39 34 27 1 #Up
40 30 36 1 #Up
41 36 37 1
42 31 38 1 #Down
43 32 39 1 #Up
44 33 40 1 #Down
45 25 41 1
| 
