ATOM 105
1 O7a O 27.9652 -20.9829
2 C1b C 29.1780 -20.2828
3 C7a C 26.7525 -20.2828
4 C1y C 31.2784 -21.4955
5 C1y C 32.6787 -21.4955
6 C1y C 33.3789 -20.2828
7 C1y C 32.6787 -19.0700
8 O2x O 31.2784 -19.0700
9 C1y C 30.5783 -20.2828
10 C8y C 26.6389 -15.5549
11 C8x C 26.6389 -16.9551
12 C8y C 27.8546 -17.6553
13 C8x C 27.8546 -14.8547
14 C8y C 29.0631 -15.5549
15 C8y C 29.0571 -16.9551
16 C8x C 30.2668 -17.6604
17 C8y C 31.4824 -16.9655
18 C8y C 31.4885 -15.5652
19 O2x O 30.2789 -14.8598 #+
20 C8y C 32.7042 -14.8702
21 C8x C 33.9101 -15.5788
22 C8y C 35.1258 -14.8839
23 C8y C 35.1319 -13.4836
24 C8x C 33.9222 -12.7782
25 C8x C 32.7064 -13.4732
26 O1a O 36.3475 -12.7885
27 O2a O 36.3354 -15.5891
28 C1y C 37.7352 -15.5830
29 O2x O 38.4405 -16.7924
30 C1y C 39.8402 -16.7863
31 C1y C 40.5348 -15.5710
32 C1y C 39.8297 -14.3618
33 C1y C 38.4299 -14.3677
34 O2a O 32.6921 -17.6707
35 O6a O 26.7525 -18.8825
36 C1b C 25.5399 -20.9829
37 C7a C 24.3272 -20.2828
38 O7a O 23.1144 -20.9829
39 O6a O 24.3272 -18.8825
40 C1c C 23.1029 -22.3795
41 C1c C 21.8844 -23.0696
42 C6a C 24.3097 -23.0896
43 O6a O 24.2982 -24.4899
44 O6a O 25.5282 -22.3995
45 C6a C 20.6776 -22.3594
46 O1a O 21.9429 -24.4697
47 O6a O 20.6191 -20.9591
48 O6a O 19.4591 -23.0494
49 O2a O 25.4267 -14.8540
50 C1y C 24.2136 -15.5535
51 O2x O 23.0070 -14.8556
52 C1y C 21.7939 -15.5552
53 C1y C 21.7932 -16.9555
54 C1y C 23.0056 -17.6561
55 C1y C 24.2186 -16.9567
56 O1a O 25.4325 -17.6550
57 O1a O 23.0048 -19.0564
58 O1a O 20.5802 -17.6550
59 C1b C 20.5817 -14.8544
60 O7a O 19.3686 -15.5538
61 C7a C 18.1562 -14.8530
62 O6a O 18.1571 -13.4527
63 C2b C 16.9433 -15.5526
64 C2b C 16.9425 -16.9529
65 C8y C 15.7294 -17.6524
66 C8x C 14.5227 -16.9512
67 C8y C 13.3097 -17.6507
68 C8y C 13.3090 -19.0510
69 C8x C 14.5212 -19.7518
70 C8x C 15.7343 -19.0524
71 O1a O 12.0959 -19.7506
72 O1a O 12.0973 -16.9501
73 O2a O 34.7792 -20.2828
74 C1y C 35.4793 -21.4955
75 O2x O 34.7792 -22.7081
76 C1y C 35.4793 -23.9208
77 C1y C 36.8796 -23.9208
78 C1y C 37.5797 -22.7081
79 C1y C 36.8796 -21.4955
80 C1b C 34.7792 -25.1335
81 O1a O 33.3789 -25.1335
82 O1a O 37.5797 -25.1335
83 O1a O 38.9800 -22.7081
84 O7a O 37.5797 -20.2828
85 C7a C 38.9800 -20.2828
86 C2b C 39.6802 -21.4955
87 O6a O 38.9658 -18.8787
88 C2b C 41.0805 -21.4955
89 C8y C 41.7806 -22.7081
90 C8x C 41.0756 -23.9137
91 C8y C 41.7757 -25.1264
92 C8y C 43.1760 -25.1264
93 C8x C 43.8762 -23.9137
94 C8x C 43.1760 -22.7011
95 O1a O 43.8762 -26.3392
96 O1a O 41.0756 -26.3392
97 O1a O 30.5783 -22.7081
98 C6a C 40.5457 -17.9959
99 O6a O 39.8508 -19.2116
100 O6a O 41.9460 -17.9898
101 O1a O 41.9351 -15.5649
102 O1a O 40.5246 -13.1460
103 O1a O 37.7245 -13.1582
104 O1a O 27.8580 -19.0556
105 O1a O 33.3789 -22.7081
BOND 113
1 24 25 2
2 25 20 1
3 14 13 2
4 23 26 1
5 13 10 1
6 50 51 1
7 51 52 1
8 52 53 1
9 53 54 1
10 54 55 1
11 55 50 1
12 22 27 1
13 55 56 1 #Down
14 5 6 1
15 54 57 1 #Up
16 28 27 1 #Up
17 53 58 1 #Down
18 6 7 1
19 52 59 1 #Up
20 7 8 1
21 59 60 1
22 8 9 1
23 60 61 1
24 9 4 1
25 61 62 2
26 1 2 1
27 61 63 1
28 28 29 1
29 63 64 2
30 29 30 1
31 64 65 1
32 30 31 1
33 31 32 1
34 32 33 1
35 33 28 1
36 14 15 1
37 65 66 2
38 66 67 1
39 67 68 2
40 68 69 1
41 69 70 2
42 70 65 1
43 17 34 1
44 68 71 1
45 7 34 1 #Up
46 67 72 1
47 9 2 1 #Up
48 6 73 1 #Down
49 15 16 1
50 74 73 1 #Up
51 3 35 2
52 16 17 2
53 3 36 1
54 17 18 1
55 36 37 1
56 74 75 1
57 75 76 1
58 76 77 1
59 77 78 1
60 78 79 1
61 79 74 1
62 18 19 2
63 76 80 1 #Up
64 37 38 1
65 80 81 1
66 19 14 1
67 77 82 1 #Down
68 37 39 2
69 78 83 1 #Up
70 79 84 1 #Down
71 38 40 1
72 84 85 1
73 18 20 1
74 85 86 1
75 40 41 1
76 85 87 2
77 1 3 1
78 86 88 2
79 40 42 1
80 88 89 1
81 4 5 1
82 42 43 1
83 10 11 2
84 42 44 2
85 11 12 1
86 89 90 2
87 90 91 1
88 91 92 2
89 92 93 1
90 93 94 2
91 94 89 1
92 41 45 1
93 92 95 1
94 12 15 2
95 91 96 1
96 5 105 1 #Up
97 41 46 1
98 4 97 1 #Up
99 20 21 2
100 30 98 1 #Up
101 45 47 2
102 98 99 1
103 21 22 1
104 98 100 2
105 45 48 1
106 31 101 1 #Down
107 22 23 2
108 32 102 1 #Up
109 10 49 1
110 33 103 1 #Down
111 23 24 1
112 12 104 1
113 50 49 1 #Up
|