ATOM 81
1 C1x C 23.5412 -15.5065
2 C1y C 23.5412 -16.9010
3 C1x C 24.7265 -17.5983
4 C1y C 25.9816 -16.9010
5 C1z C 25.9816 -15.5065
6 C1x C 24.7265 -14.8092
7 C1x C 27.1670 -17.5983
8 C1x C 28.3524 -16.9010
9 C1y C 28.3524 -15.5065
10 C1y C 27.1670 -14.8092
11 C1z C 29.5377 -14.8092
12 C1z C 29.5377 -13.4147
13 C1y C 28.3524 -12.7174
14 C1y C 27.1670 -13.4147
15 C1x C 31.9084 -14.8092
16 C1x C 31.9084 -13.4147
17 C1y C 30.7230 -12.7174
18 O7a O 25.8422 -12.4385
19 C1a C 29.5377 -12.3688
20 O1a O 29.5377 -16.2038
21 C1a C 25.9816 -14.3909
22 O2a O 22.3558 -17.5983
23 C1y C 21.1705 -18.2259
24 O2x O 19.9851 -17.5286
25 C1y C 18.7301 -18.2259
26 C1y C 18.7301 -19.6203
27 C1y C 19.9851 -20.3176
28 C1x C 21.1705 -19.6203
29 C1a C 17.5447 -17.5286
30 O2a O 17.5447 -20.3176
31 O2a O 19.9851 -21.7122
32 C1y C 16.3593 -21.0149
33 O2x O 15.1042 -20.3176
34 C1y C 13.9189 -21.0149
35 C1y C 13.9189 -22.4094
36 C1y C 15.1739 -23.1067
37 C1x C 16.3593 -22.4094
38 O2a O 15.1739 -24.5013
39 O2a O 12.7335 -23.1067
40 C1a C 12.7335 -20.3176
41 C1y C 11.5482 -23.8040
42 O2x O 10.2931 -23.1067
43 C1y C 9.1077 -23.8040
44 C1y C 9.1077 -25.1288
45 C1y C 10.2931 -25.8261
46 C1y C 11.5482 -25.1985
47 O2a O 10.2931 -27.2206
48 O1a O 12.7335 -25.8261
49 O2a O 7.8527 -25.8261
50 C1a C 7.8527 -23.0370
51 C1a C 21.1705 -22.4094
52 C1a C 16.3593 -25.1985
53 C1a C 11.5482 -27.9179
54 O7a O 28.3524 -11.3228
55 C5a C 30.7230 -11.3228
56 C1a C 31.9307 -10.6256
57 O5a O 29.5154 -10.6256
58 C7a C 27.1389 -10.6356
59 O6a O 25.9623 -11.3280
60 C2b C 27.1267 -9.2317
61 C7a C 24.5644 -12.9971
62 C1a C 23.1773 -12.3895
63 O6a O 24.6188 -14.3795
64 C2b C 28.4089 -8.5968
65 C8y C 28.3963 -7.2097
66 C8x C 29.6168 -6.4898
67 C8x C 29.6039 -5.0954
68 C8x C 28.3898 -4.4093
69 C8x C 27.1692 -5.1292
70 C8x C 27.1821 -6.5236
71 C1y C 6.6403 -26.5261
72 O2x O 5.4368 -25.8313
73 C1y C 4.2244 -26.5312
74 C1y C 4.2244 -27.9312
75 C1y C 5.4278 -28.6261
76 C1y C 6.6402 -27.9261
77 C1b C 2.9933 -25.8202
78 O1a O 5.4277 -30.0296
79 O1a O 2.9944 -28.6416
80 O1a O 7.8617 -28.6313
81 O1a O 1.7808 -26.5202
BOND 89
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 1
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 14 18 1 #Down
22 12 19 1 #Up
23 11 20 1 #Up
24 5 21 1 #Up
25 2 22 1 #Up
26 23 22 1 #Up
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
33 25 29 1 #Up
34 26 30 1 #Down
35 27 31 1 #Down
36 32 30 1 #Up
37 32 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 36 37 1
42 32 37 1
43 36 38 1 #Up
44 35 39 1 #Down
45 34 40 1 #Up
46 41 39 1 #Up
47 41 42 1
48 42 43 1
49 43 44 1
50 44 45 1
51 45 46 1
52 41 46 1
53 45 47 1 #Down
54 46 48 1 #Down
55 44 49 1 #Down
56 43 50 1 #Up
57 31 51 1
58 38 52 1
59 47 53 1
60 13 54 1 #Up
61 17 55 1 #Up
62 55 56 1
63 55 57 2
64 54 58 1
65 58 59 2
66 58 60 1
67 18 61 1
68 61 62 1
69 61 63 2
70 60 64 2
71 64 65 1
72 65 66 2
73 66 67 1
74 67 68 2
75 68 69 1
76 69 70 2
77 65 70 1
78 71 49 1 #Up
79 71 72 1
80 72 73 1
81 73 74 1
82 74 75 1
83 75 76 1
84 71 76 1
85 73 77 1 #Up
86 75 78 1 #Up
87 74 79 1 #Down
88 76 80 1 #Down
89 77 81 1
| 
