ATOM 46
1 C1z C 22.2768 -18.0621
2 C1z C 21.0635 -18.7735
3 C1y C 23.5029 -18.7672
4 C1z C 22.2768 -16.6582
5 O2x O 22.2704 -19.4404
6 C1y C 19.8502 -18.0811
7 C5x C 21.0635 -20.1710
8 C1a C 20.4963 -17.3951
9 C1c C 23.4903 -15.9468
10 C1x C 21.0444 -15.9722
11 C1a C 22.2704 -15.2734
12 C1z C 18.6559 -18.7735
13 C1x C 19.8312 -16.6836
14 C1x C 19.8502 -20.8761
15 O5x O 22.2577 -20.8571
16 O2a O 24.7162 -16.6517
17 C8y C 23.4838 -14.5620
18 C1y C 18.6559 -20.1710
19 C1y C 17.3284 -18.3543
20 C1x C 19.5383 -17.2527
21 C8x C 22.3594 -13.7550
22 C8x C 24.6018 -13.7422
23 C1z C 17.3219 -20.6030
24 O2x O 16.5153 -19.4658
25 C1x C 17.0172 -16.9885
26 O7x O 19.0867 -16.2380
27 C8x C 22.7915 -12.4400
28 O2x O 24.1573 -12.4338
29 C1a C 16.0641 -21.4287
30 C1a C 17.3274 -22.3183
31 C7x C 17.7463 -16.1186
32 O6a O 17.0137 -14.9123
33 C6a C 24.9072 -18.7672
34 O6a O 25.6094 -19.9834
35 O6a O 25.9002 -17.7742
36 C1y C 26.7462 -16.6517
37 O2x O 27.4483 -17.8676
38 C1y C 28.8483 -17.8676
39 C1y C 29.5482 -16.6552
40 C1y C 28.8462 -15.4392
41 C1y C 27.4462 -15.4393
42 C1b C 29.5386 -19.0632
43 O1a O 29.5314 -14.2527
44 O1a O 30.9386 -19.0632
45 O1a O 30.9482 -16.6552
46 O1a O 26.7462 -14.2268
BOND 52
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Up
8 4 9 1
9 4 10 1
10 4 11 1 #Down
11 6 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 9 17 1 #Down
16 12 18 1
17 12 19 1
18 12 20 1 #Up
19 17 21 1
20 17 22 2
21 18 23 1
22 19 24 1
23 19 25 1 #Up
24 20 26 1
25 21 27 2
26 22 28 1
27 23 29 1
28 23 30 1
29 25 31 1
30 31 32 2
31 3 5 1 #Up
32 9 16 1
33 10 13 1
34 14 18 1
35 23 24 1
36 26 31 1
37 27 28 1
38 3 33 1
39 33 34 2
40 33 35 1
41 36 16 1 #Up
42 36 37 1
43 37 38 1
44 38 39 1
45 39 40 1
46 40 41 1
47 36 41 1
48 38 42 1 #Up
49 40 43 1 #Up
50 42 44 1
51 39 45 1 #Down
52 41 46 1 #Down
| 
