ATOM 96
1 O2a O 25.9287 -26.7776
2 C1y C 25.9610 -28.1603
3 C1y C 24.7624 -28.8922
4 O2x O 27.2520 -28.8377
5 C1y C 24.7902 -30.2939
6 O1a O 23.5299 -28.2155
7 C1y C 27.2160 -30.2521
8 C1y C 26.0109 -30.9713
9 O1a O 23.5778 -31.0136
10 C1a C 28.4361 -30.9108
11 O1a O 26.0375 -32.3546
12 C1y C 25.8421 -22.5756
13 C1y C 27.0542 -21.8560
14 O2x O 25.7996 -23.9776
15 O2a O 27.0327 -20.4597
16 C1y C 28.2809 -22.5331
17 C1y C 27.0970 -24.6674
18 C1y C 28.2391 -19.7404
19 C1y C 28.2957 -23.9355
20 O1a O 29.4801 -21.8069
21 C1b C 27.1239 -26.0564
22 O2x O 29.4653 -20.4046
23 C1y C 28.1990 -18.3449
24 O1a O 29.5224 -24.6125
25 C1y C 30.6694 -19.6666
26 C1y C 29.3858 -17.6080
27 O1a O 26.9616 -17.6872
28 C1y C 30.6932 -18.2657
29 C1b C 31.8959 -20.3377
30 O1a O 29.3450 -16.1995
31 O1a O 31.8099 -17.5286
32 C1y C 17.3039 -19.2459
33 C1y C 18.5248 -19.9356
34 O2x O 16.0912 -19.9370
35 O2a O 19.7487 -19.2383
36 C1y C 18.5179 -21.3385
37 C1x C 16.1039 -21.3367
38 C1y C 21.0264 -19.7322
39 C1y C 17.3257 -22.0395
40 O1a O 19.7432 -22.0476
41 O2x O 21.0002 -21.1395
42 C1y C 22.2469 -19.0435
43 O1a O 17.3098 -23.4408
44 C1y C 22.2108 -21.8486
45 C1y C 23.4509 -19.7646
46 O1a O 22.2745 -17.6504
47 C1y C 23.4374 -21.1563
48 C1b C 22.2008 -23.2464
49 O1a O 24.6663 -19.0787
50 O2a O 24.6402 -21.8779
51 O1a O 20.9784 -23.9580
52 C1y C 18.5231 -14.1214
53 C1y C 18.5457 -15.5338
54 O2x O 17.2903 -13.4548
55 C1y C 17.3419 -16.2391
56 O1a O 19.7760 -16.2053
57 C1y C 16.0940 -14.1729
58 O2a O 17.3137 -17.8508
59 C1y C 16.1167 -15.5705
60 C6a C 14.8724 -13.4982
61 O1a O 14.9319 -16.2946
62 O6a O 14.8362 -12.0860
63 O6a O 13.6648 -14.2243
64 C1y C 24.5911 -10.6271
65 C1z C 25.7950 -11.3279
66 C1z C 23.3815 -11.3221
67 C1x C 24.5969 -9.2317
68 C1z C 26.9975 -10.6459
69 C1x C 25.7950 -12.7235
70 C1a C 26.4120 -9.9265
71 C1y C 23.3758 -12.7235
72 C1x C 22.1719 -10.6271
73 C1a C 23.3758 -9.9207
74 C2x C 25.8194 -8.5367
75 C2y C 27.0163 -9.2503
76 C2x C 28.2071 -11.3595
77 C1a C 26.9975 -12.0415
78 C1x C 24.5725 -13.4313
79 C1z C 22.1719 -13.4313
80 C1x C 20.9506 -11.3221
81 C1y C 28.2317 -8.5683
82 C2x C 29.4168 -10.6706
83 C1y C 20.9506 -12.7235
84 C1b C 22.5789 -14.6985
85 C1a C 21.4524 -14.6281
86 C1z C 29.4225 -9.2748
87 C1x C 28.2445 -7.1785
88 O2a O 19.7410 -13.4313
89 C1x C 30.6450 -8.6057
90 C1a C 30.0468 -7.8092
91 C1z C 29.4787 -6.4965
92 C1x C 30.6568 -7.2101
93 C1a C 30.1549 -5.2869
94 C1a C 28.6867 -5.4240
95 O1a O 31.9549 -21.7294
96 O1a O 23.8466 -15.6092
BOND 106
1 3 6 1 #Up
2 4 7 1
3 5 8 1
4 5 9 1 #Up
5 7 10 1 #Up
6 8 11 1 #Down
7 7 8 1
8 2 1 1 #Down
9 2 3 1
10 2 4 1
11 3 5 1
12 44 47 1
13 44 48 1 #Up
14 45 49 1 #Up
15 47 50 1 #Up
16 48 51 1
17 37 39 1
18 45 47 1
19 26 30 1 #Up
20 28 31 1 #Up
21 17 19 1
22 52 53 1
23 52 54 1
24 53 55 1
25 53 56 1 #Down
26 54 57 1
27 55 58 1 #Up
28 55 59 1
29 57 60 1 #Up
30 59 61 1 #Down
31 60 62 1
32 60 63 2
33 57 59 1
34 26 28 1
35 12 13 1
36 12 14 1
37 13 15 1 #Down
38 13 16 1
39 14 17 1
40 18 15 1 #Up
41 16 19 1
42 16 20 1 #Up
43 17 21 1 #Up
44 18 22 1
45 18 23 1
46 19 24 1 #Down
47 22 25 1
48 23 26 1
49 23 27 1 #Down
50 25 28 1
51 25 29 1 #Up
52 32 33 1
53 32 34 1
54 33 35 1 #Down
55 33 36 1
56 34 37 1
57 38 35 1 #Up
58 36 39 1
59 36 40 1 #Up
60 38 41 1
61 38 42 1
62 39 43 1 #Up
63 41 44 1
64 42 45 1
65 64 65 1
66 64 66 1
67 64 67 1
68 65 68 1
69 65 69 1
70 65 70 1 #Up
71 66 71 1
72 66 72 1
73 66 73 1 #Up
74 67 74 1
75 68 75 1
76 68 76 1
77 68 77 1 #Down
78 69 78 1
79 71 79 1
80 72 80 1
81 75 81 1
82 76 82 2
83 79 83 1
84 79 84 1 #Up
85 79 85 1 #Down
86 81 86 1
87 81 87 1
88 83 88 1 #Up
89 86 89 1
90 86 90 1 #Up
91 87 91 1
92 89 92 1
93 91 93 1
94 91 94 1
95 71 78 1
96 74 75 2
97 80 83 1
98 82 86 1
99 91 92 1
100 52 88 1 #Up
101 32 58 1 #Up
102 12 50 1 #Up
103 42 46 1 #Down
104 29 95 1
105 84 96 1
106 21 1 1
| 
