ATOM 84
1 C1y C 16.3600 -22.7212
2 C1y C 16.3600 -24.1119
3 C1z C 17.5421 -24.8073
4 C1y C 18.8633 -24.1119
5 C1z C 18.8633 -22.7212
6 C1x C 17.5421 -22.0258
7 C1x C 20.0454 -24.8073
8 C1x C 21.2276 -24.1119
9 C1z C 21.2276 -22.7212
10 C1y C 20.0454 -22.0258
11 C1z C 22.4792 -22.0258
12 C2y C 22.4792 -20.6350
13 C2x C 21.2276 -19.9397
14 C1x C 20.0454 -20.6350
15 C1x C 23.6614 -22.7212
16 C1y C 24.8435 -22.0258
17 C1z C 24.8435 -20.6350
18 C1y C 23.6614 -19.9397
19 C1x C 26.0952 -19.9397
20 C1x C 26.0952 -18.5489
21 C1z C 24.8435 -17.7840
22 C1x C 23.6614 -18.5489
23 C7a C 26.0257 -21.3304
24 O7a O 27.2773 -20.6350
25 O6a O 26.0257 -22.7212
26 C1y C 28.4595 -21.3304
27 O2x O 28.4595 -22.7212
28 C1x C 29.7111 -23.4165
29 C1y C 30.8933 -22.7212
30 C1y C 30.8933 -21.3304
31 C1y C 29.7111 -20.6350
32 C1a C 18.8633 -21.3304
33 C1a C 22.4792 -23.4165
34 O1a O 15.1778 -22.0258
35 O2a O 15.1778 -24.8073
36 C1y C 13.9957 -24.1119
37 O2x O 13.9957 -22.7212
38 C1y C 12.7440 -22.0258
39 C1y C 11.5619 -22.7212
40 C1y C 11.5619 -24.1119
41 C1y C 12.7440 -24.8073
42 C1b C 12.7440 -20.6350
43 O1a O 11.5619 -19.9397
44 O1a O 10.3102 -22.0258
45 O1a O 10.3102 -24.8073
46 O1a O 12.7440 -26.2676
47 O2a O 29.7111 -19.2443
48 C1y C 30.9628 -18.5489
49 O2x O 32.1449 -19.3138
50 C1y C 33.3271 -18.6185
51 C1y C 33.3271 -17.1582
52 C1y C 32.1449 -16.4628
53 C1y C 30.9628 -17.0886
54 C1a C 34.6483 -19.3138
55 O2a O 34.5788 -16.4628
56 O1a O 29.7807 -16.3933
57 C1y C 35.7609 -17.1582
58 O2x O 35.7609 -18.6185
59 C1x C 37.0126 -19.3138
60 C1y C 38.1947 -18.6185
61 C1y C 38.1947 -17.1582
62 C1y C 37.0126 -16.4628
63 O1a O 37.0126 -15.0720
64 O2a O 39.4464 -16.4628
65 C1y C 40.5590 -17.1582
66 C1y C 40.9762 -18.5489
67 C1z C 42.5060 -18.5489
68 C1x C 42.9233 -17.1582
69 O2x O 41.8107 -16.3237
70 O1a O 40.2113 -19.8006
71 C1b C 43.6882 -19.2443
72 O1a O 44.8703 -18.5489
73 O1a O 42.1583 -19.8701
74 O1a O 32.1449 -15.0720
75 O1a O 32.0754 -20.6350
76 O1a O 32.0754 -23.4165
77 C1a C 25.6780 -16.6714
78 C1a C 23.9395 -16.7409
79 O1a O 24.8435 -23.4165
80 O1a O 39.1682 -19.8006
81 C1a C 21.2276 -21.8867
82 C1b C 17.5421 -26.1980
83 C1a C 16.5236 -25.7101
84 O1a O 18.8342 -26.7814
BOND 93
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 2
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 12 18 1
22 17 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 18 22 1
27 17 23 1 #Up
28 23 24 1
29 23 25 2
30 26 24 1 #Up
31 26 27 1
32 27 28 1
33 28 29 1
34 29 30 1
35 30 31 1
36 26 31 1
37 5 32 1 #Up
38 11 33 1 #Down
39 1 34 1 #Up
40 2 35 1 #Up
41 36 35 1 #Up
42 36 37 1
43 37 38 1
44 38 39 1
45 39 40 1
46 40 41 1
47 36 41 1
48 38 42 1 #Up
49 42 43 1
50 39 44 1 #Down
51 40 45 1 #Up
52 41 46 1 #Down
53 31 47 1 #Down
54 48 47 1 #Up
55 48 49 1
56 49 50 1
57 50 51 1
58 51 52 1
59 52 53 1
60 48 53 1
61 50 54 1 #Down
62 51 55 1 #Up
63 53 56 1 #Down
64 57 55 1 #Up
65 57 58 1
66 58 59 1
67 59 60 1
68 60 61 1
69 61 62 1
70 57 62 1
71 62 63 1 #Down
72 61 64 1 #Up
73 65 64 1 #Down
74 65 66 1
75 66 67 1
76 67 68 1
77 68 69 1
78 65 69 1
79 66 70 1 #Up
80 67 71 1
81 71 72 1
82 67 73 1 #Up
83 52 74 1 #Down
84 30 75 1 #Up
85 29 76 1 #Up
86 21 77 1
87 21 78 1
88 16 79 1 #Down
89 60 80 1 #Down
90 9 81 1 #Up
91 3 82 1
92 3 83 1 #Down
93 82 84 1
| 
