ATOM 90
1 C1y C 20.8734 -15.4580
2 C1y C 22.0787 -14.7652
3 C1y C 19.6612 -14.7652
4 O7a O 20.8734 -16.8639
5 C1y C 22.0787 -13.3666
6 N1b N 23.2840 -15.4580
7 C1y C 19.6612 -13.3666
8 O2b O 18.4372 -15.4580
9 C7a C 19.6612 -17.5768
10 O2x O 20.8734 -12.6536
11 O2a O 23.2840 -12.6536
12 C5a C 23.2840 -16.8639
13 C1b C 18.4372 -12.6536
14 P1b P 17.0385 -15.4523
15 C1b C 19.6612 -18.9755
16 O6a O 18.4501 -16.8639
17 C1b C 24.4950 -11.9607
18 C1b C 24.4950 -17.5768
19 O5a O 22.0787 -17.5768
20 O2a O 18.4372 -11.2552
21 O1c O 17.0256 -14.0595
22 O1c O 15.6328 -15.4523 #-
23 O1c O 17.0256 -16.8582
24 C1c C 18.4501 -19.6684
25 C1y C 25.7203 -12.6666
26 C1c C 24.5079 -18.9755
27 C1b C 18.4501 -21.0741
28 O7a O 17.2320 -18.9755
29 C1y C 25.7203 -14.0595
30 O2x O 26.9383 -11.9738
31 C1b C 23.2968 -19.6684
32 O7a O 25.7261 -19.6684
33 C1b C 17.2320 -21.7800
34 C1y C 26.9383 -14.7652
35 O1a O 24.4950 -14.7652
36 C1y C 28.1495 -12.6666
37 C1b C 23.2968 -21.0610
38 C1b C 17.2377 -23.1855
39 C1y C 28.1495 -14.0595
40 O7a O 26.9383 -16.1711
41 O2b O 29.3617 -11.9738
42 C1b C 22.0787 -21.7741
43 C1b C 16.0267 -23.8785
44 N1b N 29.3617 -14.7652
45 C7a C 28.1624 -16.8639
46 P1b P 29.3617 -10.5681
47 C1b C 22.0787 -23.1855
48 C5a C 30.5730 -14.0595
49 C1b C 28.1624 -18.2696
50 O6a O 29.3617 -16.1711
51 O1c O 27.9560 -10.5621
52 O1c O 29.3488 -9.1693 #-
53 O1c O 30.7605 -10.5681
54 C1b C 31.7852 -14.7652
55 O5a O 30.5670 -12.6536
56 C1c C 29.3677 -18.9755
57 C1c C 31.7911 -16.1711
58 C1b C 29.3677 -20.3682
59 O1a O 30.5730 -18.2696
60 C1b C 32.9962 -16.8639
61 O1a O 30.5730 -17.0039
62 C1b C 30.5858 -21.0610
63 C1b C 32.9905 -18.2884
64 C1b C 30.5858 -22.4669
65 C1b C 34.2273 -19.0130
66 C1b C 31.7911 -23.1855
67 C1b C 34.2273 -20.4375
68 R R 17.2328 -10.5627
69 C7a C 16.0308 -19.6735
70 O6a O 14.8160 -18.9866
71 R R 16.0301 -21.0653
72 C7a C 25.7289 -21.0602
73 O6a O 26.9347 -21.7571
74 R R 24.5189 -21.7622
75 C1b C 16.0240 -25.2703
76 C1b C 14.8111 -25.9674
77 C1b C 14.8083 -27.3594
78 C1b C 20.8743 -23.8779
79 C1b C 20.8743 -25.2698
80 C1b C 19.6698 -25.9693
81 C1b C 31.7750 -24.5773
82 C1b C 32.9713 -25.2836
83 C1b C 32.9552 -26.6754
84 C1b C 35.4388 -21.1299
85 C1b C 35.4388 -22.5218
86 C1b C 36.6433 -23.2213
87 R R 13.6026 -28.0494
88 R R 19.6698 -27.3611
89 R R 34.1586 -27.3887
90 R R 36.6433 -24.6131
BOND 91
1 15 24 1
2 25 17 1 #Up
3 18 26 1
4 24 27 1
5 24 28 1
6 25 29 1
7 25 30 1
8 26 31 1
9 26 32 1
10 27 33 1
11 29 34 1
12 29 35 1 #Down
13 30 36 1
14 31 37 1
15 33 38 1
16 34 39 1
17 34 40 1 #Up
18 36 41 1 #Down
19 37 42 1
20 38 43 1
21 39 44 1 #Down
22 40 45 1
23 41 46 1
24 42 47 1
25 44 48 1
26 45 49 1
27 45 50 2
28 46 51 1
29 46 52 1
30 46 53 2
31 48 54 1
32 48 55 2
33 49 56 1
34 54 57 1
35 56 58 1
36 56 59 1
37 57 60 1
38 57 61 1
39 58 62 1
40 60 63 1
41 62 64 1
42 63 65 1
43 64 66 1
44 65 67 1
45 7 10 1
46 36 39 1
47 20 68 1
48 1 2 1
49 28 69 1
50 1 3 1
51 69 70 2
52 1 4 1 #Up
53 69 71 1
54 2 5 1
55 32 72 1
56 2 6 1 #Down
57 72 73 2
58 3 7 1
59 72 74 1
60 3 8 1 #Down
61 43 75 1
62 4 9 1
63 75 76 1
64 5 10 1
65 76 77 1
66 5 11 1 #Up
67 47 78 1
68 6 12 1
69 78 79 1
70 7 13 1 #Up
71 79 80 1
72 8 14 1
73 66 81 1
74 9 15 1
75 81 82 1
76 9 16 2
77 82 83 1
78 11 17 1
79 67 84 1
80 12 18 1
81 84 85 1
82 12 19 2
83 85 86 1
84 13 20 1
85 77 87 1
86 14 21 1
87 80 88 1
88 14 22 1
89 83 89 1
90 14 23 2
91 86 90 1
| 
