ATOM 43
1 C1y C 22.1121 -20.1265
2 C1y C 22.0967 -21.5052
3 O2x O 20.9246 -19.4161
4 C1y C 20.8861 -22.1755
5 O7a O 23.2843 -22.2156
6 C1y C 19.6489 -20.0894
7 C1y C 19.7036 -21.4681
8 O2a O 20.8697 -23.5674
9 C7a C 23.2778 -23.5793
10 C1a C 18.5315 -19.3790
11 O1a O 18.4899 -22.1435
12 C1a C 19.6671 -24.2357
13 C1a C 24.4662 -24.2767
14 O6a O 22.0791 -24.2638
15 C1y C 28.1200 -16.6802
16 C1y C 28.1317 -15.3025
17 C1z C 26.9231 -17.3691
18 C1y C 29.3052 -17.3808
19 C1y C 29.3343 -14.6193
20 O2x O 28.1374 -13.9187
21 C1y C 26.9172 -18.7470
22 C1x C 25.7320 -16.6744
23 C4a C 26.9114 -15.9855
24 C1z C 30.5078 -16.6978
25 C1x C 29.3052 -18.7586
26 C1z C 30.5254 -15.3199
27 C1x C 28.1083 -19.4476
28 C1x C 25.7320 -19.4418
29 C1x C 24.5235 -17.3691
30 O4a O 25.7086 -15.2908
31 C1x C 32.8841 -16.7269
32 O1a O 30.4903 -18.0697
33 C1y C 31.7223 -14.6484
34 C1a C 30.5137 -13.9363
35 C1y C 24.5235 -18.7470
36 C1x C 32.9015 -15.3490
37 C2y C 31.7397 -13.2707
38 O2a O 23.3266 -19.4418
39 C1x C 31.3135 -11.9628
40 C2x C 33.1118 -13.3348
41 O7x O 32.4229 -11.1630
42 C7x C 33.5320 -11.9570
43 O6a O 34.8515 -11.5309
BOND 49
1 2 5 1 #Up
2 3 6 1
3 4 7 1
4 4 8 1 #Down
5 5 9 1
6 6 10 1 #Down
7 7 11 1 #Up
8 8 12 1
9 9 13 1
10 9 14 2
11 6 7 1
12 1 2 1
13 15 16 1
14 15 17 1
15 15 18 1
16 16 19 1
17 16 20 1
18 17 21 1
19 17 22 1
20 17 23 1 #Up
21 18 24 1
22 18 25 1
23 19 26 1
24 21 27 1
25 21 28 1
26 22 29 1
27 23 30 2
28 24 31 1
29 24 32 1 #Up
30 26 33 1
31 26 34 1 #Up
32 28 35 1
33 31 36 1
34 33 37 1
35 35 38 1 #Up
36 37 39 1
37 37 40 2
38 39 41 1
39 40 42 1
40 42 43 2
41 19 20 1
42 24 26 1
43 25 27 1
44 29 35 1
45 33 36 1
46 41 42 1
47 1 3 1
48 1 38 1 #Up
49 2 4 1
| 
