ATOM 97
1 O7a O 27.9652 -21.6827
2 C1b C 29.1779 -20.9826
3 C7a C 26.7524 -20.9826
4 C1y C 31.2783 -22.1953
5 C1y C 32.6786 -22.1953
6 C1y C 33.3787 -20.9826
7 C1y C 32.6786 -19.7698
8 O2x O 31.2783 -19.7698
9 C1y C 30.5782 -20.9826
10 C8y C 26.6389 -16.2547
11 C8x C 26.6389 -17.6550
12 C8y C 27.8545 -18.3551
13 C8x C 27.8545 -15.5546
14 C8y C 29.0630 -16.2547
15 C8y C 29.0570 -17.6550
16 C8x C 30.2667 -18.3602
17 C8y C 31.4823 -17.6653
18 C8y C 31.4884 -16.2651
19 O2x O 30.2788 -15.5597 #+
20 C8y C 32.7041 -15.5700
21 C8x C 33.9100 -16.2786
22 C8y C 35.1256 -15.5838
23 C8y C 35.1317 -14.1835
24 C8y C 33.9220 -13.4781
25 C8x C 32.7063 -14.1731
26 O1a O 36.3473 -13.4884
27 O2a O 36.3353 -16.2890
28 C1y C 37.7351 -16.2829
29 O2x O 38.4403 -17.4922
30 C1y C 39.8401 -17.4861
31 C1y C 40.5346 -16.2708
32 C1y C 39.8295 -15.0617
33 C1y C 38.4298 -15.0676
34 O2a O 32.6920 -18.3706
35 O6a O 26.7524 -19.5823
36 C1b C 25.5399 -21.6827
37 O2a O 25.4267 -15.5539
38 C1y C 24.2136 -16.2533
39 O2x O 23.0070 -15.5554
40 C1y C 21.7939 -16.2550
41 C1y C 21.7932 -17.6553
42 C1y C 23.0056 -18.3560
43 C1y C 24.2185 -17.6565
44 O1a O 25.4324 -18.3548
45 O1a O 23.0048 -19.7563
46 O1a O 20.5802 -18.3548
47 C1b C 20.5817 -15.5542
48 O7a O 19.3686 -16.2537
49 C7a C 18.1562 -15.5529
50 O6a O 18.1571 -14.1526
51 C2b C 16.9433 -16.2525
52 C2b C 16.9425 -17.6528
53 C8y C 15.7294 -18.3522
54 C8x C 14.5228 -17.6511
55 C8y C 13.3097 -18.3505
56 C8y C 13.3090 -19.7508
57 C8x C 14.5213 -20.4516
58 C8x C 15.7343 -19.7522
59 O1a O 12.0960 -20.4505
60 O1a O 12.0973 -17.6499
61 O2a O 34.7790 -20.9826
62 C1y C 35.4792 -22.1953
63 O2x O 34.7790 -23.4079
64 C1y C 35.4792 -24.6206
65 C1y C 36.8794 -24.6206
66 C1y C 37.5796 -23.4079
67 C1y C 36.8794 -22.1953
68 C1b C 34.7790 -25.8333
69 O1a O 33.3787 -25.8333
70 O1a O 37.5796 -25.8333
71 O1a O 38.9799 -23.4079
72 O7a O 37.5796 -20.9826
73 C7a C 38.9799 -20.9826
74 C2b C 39.6800 -22.1953
75 O6a O 38.9656 -19.5786
76 C2b C 41.0803 -22.1953
77 C8y C 41.7804 -23.4079
78 C8x C 41.0754 -24.6135
79 C8y C 41.7755 -25.8262
80 C8y C 43.1758 -25.8262
81 C8x C 43.8759 -24.6135
82 C8x C 43.1758 -23.4009
83 O1a O 43.8759 -27.0389
84 O1a O 41.0754 -27.0389
85 O1a O 30.5782 -23.4079
86 C6a C 40.5455 -18.6958
87 O6a O 39.8506 -19.9114
88 O6a O 41.9458 -18.6897
89 O1a O 41.9349 -16.2647
90 O1a O 40.5244 -13.8459
91 O1a O 37.7244 -13.8581
92 O1a O 27.8579 -19.7554
93 O1a O 33.3787 -23.4079
94 O1a O 33.9280 -12.0778
95 C6a C 24.3271 -20.9826
96 O6a O 23.1144 -21.6827
97 O6a O 24.3271 -19.5823
BOND 105
1 41 46 1 #Down
2 20 21 2
3 40 47 1 #Up
4 21 22 1
5 47 48 1
6 22 23 2
7 48 49 1
8 23 24 1
9 49 50 2
10 24 25 2
11 49 51 1
12 25 20 1
13 51 52 2
14 14 13 2
15 52 53 1
16 23 26 1
17 13 10 1
18 22 27 1
19 5 6 1
20 28 27 1 #Up
21 53 54 2
22 54 55 1
23 55 56 2
24 56 57 1
25 57 58 2
26 58 53 1
27 6 7 1
28 56 59 1
29 7 8 1
30 55 60 1
31 8 9 1
32 6 61 1 #Down
33 9 4 1
34 62 61 1 #Up
35 1 2 1
36 28 29 1
37 29 30 1
38 30 31 1
39 31 32 1
40 62 63 1
41 63 64 1
42 64 65 1
43 65 66 1
44 66 67 1
45 67 62 1
46 32 33 1
47 64 68 1 #Up
48 33 28 1
49 68 69 1
50 14 15 1
51 65 70 1 #Down
52 17 34 1
53 66 71 1 #Up
54 7 34 1 #Up
55 67 72 1 #Down
56 9 2 1 #Up
57 72 73 1
58 15 16 1
59 73 74 1
60 3 35 2
61 73 75 2
62 16 17 2
63 74 76 2
64 3 36 1
65 76 77 1
66 17 18 1
67 10 37 1
68 18 19 2
69 38 37 1 #Up
70 19 14 1
71 77 78 2
72 78 79 1
73 79 80 2
74 80 81 1
75 81 82 2
76 82 77 1
77 80 83 1
78 18 20 1
79 79 84 1
80 5 93 1 #Up
81 1 3 1
82 4 85 1 #Up
83 4 5 1
84 30 86 1 #Up
85 38 39 1
86 86 87 1
87 39 40 1
88 86 88 2
89 40 41 1
90 31 89 1 #Down
91 41 42 1
92 32 90 1 #Up
93 42 43 1
94 33 91 1 #Down
95 43 38 1
96 12 92 1
97 10 11 2
98 43 44 1 #Down
99 24 94 1
100 11 12 1
101 36 95 1
102 42 45 1 #Up
103 95 96 1
104 12 15 2
105 95 97 2
| 
