ATOM 42
1 C1y C 23.3391 -21.7251
2 C1y C 22.1264 -22.3781
3 C1z C 23.3391 -20.3256
4 C1x C 25.7647 -21.7251
5 C1y C 20.9603 -21.6785
6 C1x C 22.1264 -23.7775
7 C1z C 24.5519 -19.6727
8 C1x C 22.1730 -19.6261
9 C1a C 23.2924 -18.9729
10 C1x C 25.7647 -20.3724
11 C1z C 19.7473 -22.3781
12 C1y C 20.9603 -20.3256
13 C1x C 20.9135 -24.4771
14 C5a C 24.5519 -18.2733
15 O1a O 25.8579 -19.2995
16 C2y C 19.7473 -23.7775
17 C2x C 18.5346 -21.6785
18 C1a C 19.7473 -21.0720
19 O1a O 19.7473 -19.6261
20 C1b C 25.7180 -17.5736
21 O5a O 23.3391 -17.5736
22 C2x C 18.5346 -24.4771
23 C2x C 17.3685 -22.3781
24 O7a O 26.9307 -18.2733
25 C5x C 17.3685 -23.7775
26 C7a C 28.0969 -17.5736
27 O5x O 16.1557 -24.4771
28 C2b C 29.3097 -18.2733
29 O6a O 28.0969 -16.1743
30 C2c C 30.6922 -18.2870
31 C1b C 31.4056 -17.0791
32 C1a C 31.3816 -19.5086
33 C1b C 32.7962 -17.0461
34 C2b C 33.5190 -15.8691
35 C2c C 34.9001 -15.8825
36 C1b C 35.6394 -17.0478
37 C1a C 35.5638 -14.6197
38 C1b C 37.0511 -17.0606
39 C2b C 37.7862 -18.2192
40 C2c C 39.1776 -18.2078
41 C1a C 39.8910 -19.4201
42 C1a C 39.8557 -17.0104
BOND 45
1 3 7 1
2 3 8 1
3 3 9 1 #Up
4 4 10 1
5 5 11 1
6 5 12 1
7 6 13 1
8 7 14 1 #Up
9 7 15 1 #Down
10 11 16 1
11 11 17 1
12 11 18 1 #Up
13 12 19 1 #Up
14 14 20 1
15 14 21 2
16 16 22 2
17 17 23 2
18 20 24 1
19 22 25 1
20 24 26 1
21 25 27 2
22 26 28 1
23 26 29 2
24 7 10 1
25 8 12 1
26 13 16 1
27 23 25 1
28 1 2 1
29 1 3 1
30 1 4 1
31 2 5 1
32 2 6 1
33 28 30 2
34 30 31 1
35 30 32 1
36 31 33 1
37 33 34 1
38 34 35 2
39 35 36 1
40 35 37 1
41 36 38 1
42 38 39 1
43 39 40 2
44 40 41 1
45 40 42 1
| 
