ATOM 74
1 C1x C 27.5850 -17.7537
2 C1y C 27.5850 -19.0780
3 C1x C 28.7699 -19.7750
4 C2y C 29.9548 -19.0780
5 C1z C 29.9548 -17.7537
6 C1x C 28.7699 -17.0567
7 C2x C 31.1397 -19.7750
8 C1x C 32.3246 -19.0780
9 C1y C 32.3246 -17.7537
10 C1y C 31.1397 -17.0567
11 C1z C 33.5792 -17.0567
12 C1z C 33.5792 -15.6627
13 C1x C 32.3246 -14.9657
14 C1x C 31.1397 -15.6627
15 C1x C 35.8793 -17.0567
16 C1y C 35.8793 -15.6627
17 C1y C 34.6944 -14.9657
18 O2x O 37.1340 -14.9657
19 C1z C 37.1340 -13.5717
20 C1y C 34.6944 -13.5717
21 C1a C 33.5792 -14.2687
22 C1a C 29.9548 -16.3597
23 O2a O 26.4001 -19.7750
24 C1y C 25.1455 -20.4720
25 O2x O 24.0303 -19.7750
26 C1y C 22.7757 -20.4720
27 C1y C 22.7757 -21.8660
28 C1y C 24.0303 -22.5630
29 C1y C 25.1455 -21.8660
30 C1b C 21.5908 -19.7750
31 O1a O 20.4059 -20.4720
32 O2a O 21.5908 -22.5630
33 O1a O 24.0303 -23.8873
34 O1a O 26.3304 -22.5630
35 C1y C 20.3362 -23.2600
36 O2x O 19.2210 -22.5630
37 C1y C 17.9664 -23.2600
38 C1y C 17.9664 -24.5843
39 C1y C 19.2210 -25.2813
40 C1y C 20.3362 -24.5843
41 C1b C 16.7815 -22.5630
42 O1a O 15.5966 -23.2600
43 O1a O 16.7815 -25.2813
44 O2a O 19.2210 -26.6753
45 O2a O 21.5211 -25.2813
46 C1y C 18.0361 -27.3723
47 O2x O 16.8512 -26.6753
48 C1x C 15.5966 -27.3723
49 C1y C 15.5966 -28.6966
50 C1y C 16.8512 -29.3936
51 C1y C 18.0361 -28.6966
52 O1a O 14.4117 -29.3936
53 O1a O 16.8512 -30.7876
54 O1a O 19.2210 -29.3936
55 C1y C 22.7060 -25.9783
56 C1y C 22.7060 -27.3723
57 C1y C 23.9606 -28.0693
58 C1y C 25.0758 -27.3723
59 C1y C 25.0758 -25.9783
60 O2x O 23.9606 -25.2813
61 O1a O 21.5211 -28.0693
62 O1a O 23.9606 -29.3936
63 O1a O 26.2607 -28.0693
64 C1b C 26.2607 -25.2813
65 O1a O 27.4456 -25.9783
66 C1y C 37.1340 -12.1777
67 C1x C 38.3412 -11.4807
68 C1y C 39.5315 -12.1682
69 C1a C 40.7138 -11.4856
70 C1x C 39.5316 -13.5714
71 O2x O 38.3035 -14.2808
72 O1a O 35.9267 -11.4807
73 O1a O 33.5792 -18.4507
74 C1a C 33.7216 -12.5986
BOND 83
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 4 7 2
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 16 18 1
22 18 19 1
23 19 20 1
24 17 20 1
25 12 21 1
26 5 22 1
27 2 23 1
28 23 24 1
29 24 25 1
30 25 26 1
31 26 27 1
32 27 28 1
33 28 29 1
34 24 29 1
35 26 30 1
36 30 31 1
37 27 32 1
38 28 33 1
39 29 34 1
40 32 35 1
41 35 36 1
42 36 37 1
43 37 38 1
44 38 39 1
45 39 40 1
46 35 40 1
47 37 41 1
48 41 42 1
49 38 43 1
50 39 44 1
51 40 45 1
52 44 46 1
53 46 47 1
54 47 48 1
55 48 49 1
56 49 50 1
57 50 51 1
58 46 51 1
59 49 52 1
60 50 53 1
61 51 54 1
62 45 55 1
63 55 56 1
64 56 57 1
65 57 58 1
66 58 59 1
67 59 60 1
68 55 60 1
69 56 61 1
70 57 62 1
71 58 63 1
72 59 64 1
73 64 65 1
74 19 66 1
75 66 67 1
76 67 68 1
77 68 69 1
78 68 70 1
79 70 71 1
80 71 19 1
81 66 72 1
82 11 73 1
83 20 74 1
| 
