ATOM 54
1 C1y C 31.7542 -13.0160
2 C1y C 31.7542 -11.5958
3 C1x C 30.5470 -10.8857
4 C1z C 29.2688 -11.5958
5 O2x O 29.2688 -13.0160
6 C1y C 30.5470 -13.7261
7 C2b C 28.0617 -15.1463
8 C1c C 29.2688 -15.8564
9 C1b C 30.5470 -15.1463
10 C1b C 28.0617 -10.8857
11 C1c C 26.8545 -11.5958
12 C1b C 25.5763 -10.8857
13 O1a O 29.2688 -10.1756
14 O2a O 29.2688 -17.2766
15 C1y C 30.4760 -17.9867
16 O2x O 30.4760 -19.4069
17 C1y C 31.7542 -20.1170
18 C1y C 32.9613 -19.4069
19 C1y C 32.9613 -17.9867
20 C1y C 31.7542 -17.2766
21 C1a C 31.7542 -21.5372
22 O1a O 31.7542 -15.8564
23 N1a N 34.1685 -17.2766
24 O1a O 32.9613 -10.8857
25 C6a C 32.9613 -13.7261
26 O6a O 34.1685 -13.0160
27 O6a O 32.9613 -15.1463
28 O1a O 34.1685 -20.1170
29 C2b C 26.8260 -15.8464
30 C2b C 25.6275 -15.1412
31 C2b C 24.4048 -15.8341
32 C2b C 23.2167 -15.1353
33 C2b C 21.9888 -15.8312
34 C2b C 20.7511 -15.1028
35 O1a O 26.8719 -13.0159
36 C1b C 24.3583 -11.6160
37 C1b C 23.1167 -10.9263
38 C5a C 21.8662 -11.6757
39 C1b C 20.6402 -10.9810
40 C1c C 19.4016 -11.7099
41 C2b C 19.5020 -15.8102
42 C1b C 18.3003 -15.1423
43 C1c C 18.1660 -11.0104
44 C1c C 18.3003 -13.8823
45 O7a O 16.9853 -13.2339
46 C7a C 16.9937 -11.7005
47 O6a O 15.7834 -11.0152
48 C1b C 19.4768 -13.8503
49 O5a O 21.8563 -12.8056
50 C1b C 18.1535 -9.5908
51 C1a C 16.9169 -8.8911
52 O1a O 19.3917 -12.9798
53 C1b C 20.6892 -13.1503
54 C1a C 21.9288 -13.8662
BOND 56
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 7 8 1
8 8 9 1
9 6 9 1
10 4 10 1
11 10 11 1
12 11 12 1
13 4 13 1 #Up
14 8 14 1 #Up
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 15 20 1
22 17 21 1 #Up
23 20 22 1 #Up
24 19 23 1 #Up
25 2 24 1 #Down
26 1 25 1 #Up
27 25 26 1
28 25 27 2
29 18 28 1 #Down
30 7 29 2
31 29 30 1
32 30 31 2
33 31 32 1
34 32 33 2
35 33 34 1
36 11 35 1 #Up
37 12 36 1
38 36 37 1
39 37 38 1
40 38 39 1
41 39 40 1
42 34 41 2
43 41 42 1
44 40 43 1
45 42 44 1
46 44 45 1
47 43 46 1
48 46 47 2
49 46 45 1
50 44 48 1 #Down
51 38 49 2
52 43 50 1 #Up
53 50 51 1
54 40 52 1 #Up
55 48 53 1
56 53 54 1
|