ATOM 67
1 C1y C 27.0152 -16.4379
2 C1y C 28.2116 -15.7380
3 C1y C 25.8448 -15.7380
4 O7a O 27.0095 -17.7203
5 C1y C 28.2116 -14.3765
6 O7a O 29.3949 -16.4887
7 C1y C 25.8448 -14.3765
8 O7x O 23.6453 -16.8634
9 C7a C 26.0169 -18.4556
10 O2x O 27.0152 -13.7023
11 O7a O 29.4008 -13.7023
12 C7a C 29.3949 -17.8630
13 C1x C 24.6719 -13.7023
14 C7x C 23.6453 -18.3769
15 C8y C 26.0505 -19.7583
16 O6a O 24.8748 -17.8026
17 C7a C 30.5853 -13.0154
18 C8y C 30.5724 -18.5431
19 O6a O 28.2174 -18.5431
20 O7x O 23.6253 -14.5779
21 C8y C 22.4607 -19.0568
22 O6a O 24.7810 -19.0873
23 C8x C 24.8030 -20.4617
24 C8x C 27.1756 -20.4148
25 C8y C 31.7559 -13.7083
26 O6a O 30.5913 -11.6540
27 C8x C 30.5724 -19.9220
28 C8x C 31.7501 -17.8630
29 C7x C 22.4408 -13.8908
30 C8x C 22.4607 -20.4427
31 C8y C 21.2845 -18.3769
32 C8y C 24.8147 -21.8348
33 C8y C 27.1349 -21.7938
34 C8x C 31.7559 -15.0872
35 C8x C 32.9581 -13.0212
36 C8y C 31.7501 -20.6206
37 C8y C 32.9523 -18.5431
38 C8y C 21.2633 -14.5779
39 O6a O 22.4408 -12.5236
40 C8y C 21.2845 -21.1418
41 C8y C 20.0823 -19.0568
42 C8y C 26.0286 -22.5044
43 O1a O 23.6429 -22.5395
44 O1a O 28.4011 -22.4506
45 C8y C 32.9581 -15.7790
46 C8y C 34.1356 -13.7083
47 C8y C 32.9523 -19.9220
48 O1a O 31.7501 -21.9821
49 O1a O 34.1298 -17.8572
50 C8y C 21.2633 -15.9580
51 C8x C 20.0857 -13.8908
52 C8y C 20.0823 -20.4427
53 O1a O 21.2903 -22.5088
54 O1a O 18.9048 -18.3769
55 O1a O 26.0680 -24.0835
56 C8y C 34.1822 -15.0392
57 O1a O 32.9581 -17.1472
58 O1a O 35.3202 -13.0212
59 O1a O 34.1356 -20.6032
60 C8y C 20.0857 -16.6558
61 C8y C 18.8907 -14.5779
62 O1a O 18.9048 -21.1242
63 O1a O 35.3260 -15.7556
64 C8y C 18.8907 -15.9580
65 O1a O 20.0857 -18.0169
66 O1a O 17.7061 -13.8850
67 O1a O 17.7003 -16.6381
BOND 73
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1 #Up
13 8 14 1
14 9 15 1
15 9 16 2
16 11 17 1
17 12 18 1
18 12 19 2
19 13 20 1
20 14 21 1
21 14 22 2
22 15 23 1
23 15 24 2
24 17 25 1
25 17 26 2
26 18 27 1
27 18 28 2
28 20 29 1
29 21 30 1
30 21 31 2
31 23 32 2
32 24 33 1
33 25 34 2
34 25 35 1
35 27 36 2
36 28 37 1
37 29 38 1
38 29 39 2
39 30 40 2
40 31 41 1
41 32 42 1
42 32 43 1
43 33 44 1
44 34 45 1
45 35 46 2
46 36 47 1
47 36 48 1
48 37 49 1
49 38 50 1
50 38 51 2
51 40 52 1
52 40 53 1
53 41 54 1
54 42 55 1
55 45 56 2
56 45 57 1
57 46 58 1
58 47 59 1
59 50 60 2
60 51 61 1
61 52 62 1
62 56 63 1
63 60 64 1
64 60 65 1
65 61 66 1
66 64 67 1
67 7 10 1
68 33 42 2
69 37 47 2
70 41 52 2
71 46 56 1
72 61 64 2
73 50 31 1
| 
