ATOM 43
1 C1y C 26.3949 -19.5881
2 C1y C 25.2172 -20.2702
3 C1z C 26.4125 -18.2294
4 C1x C 28.7565 -19.6171
5 C1y C 24.0452 -19.5705
6 C1x C 25.2172 -21.6346
7 C1y C 27.6019 -17.5647
8 C1x C 25.2403 -17.5356
9 C1a C 26.4416 -16.9292
10 C1y C 28.7739 -18.2586
11 C1z C 22.7856 -20.2528
12 C1x C 24.0567 -18.2120
13 C1x C 24.0335 -22.3110
14 O7a O 27.6836 -15.9028
15 N1y N 29.9635 -17.5880
16 C1y C 22.8498 -21.6289
17 C1x C 21.6719 -19.5647
18 C1a C 22.8439 -18.9350
19 C7a C 26.5057 -15.1973
20 C1x C 31.1355 -18.2877
21 C1x C 29.9750 -16.2295
22 C1x C 21.6719 -22.3052
23 C1y C 20.4942 -20.2528
24 C1a C 25.3162 -15.8737
25 O6a O 26.5232 -13.8329
26 C1x C 32.3308 -17.6230
27 C1x C 31.1646 -15.5531
28 C1y C 20.4942 -21.6289
29 N1y N 19.1646 -19.3606
30 N2y N 32.3482 -16.2586 #+
31 O7a O 19.3046 -22.3052
32 C1x C 19.1705 -18.0019
33 C1x C 17.9809 -20.0544
34 C7a C 19.3046 -23.6697
35 C1x C 17.9809 -17.3198
36 C1x C 16.7972 -19.3664
37 C1a C 18.1152 -24.3577
38 O6a O 20.4942 -24.3577
39 N2y N 16.8032 -18.0019 #+
40 C1a C 15.5842 -17.2958
41 C1a C 15.5907 -18.7019
42 C1a C 33.7814 -15.5740
43 C1a C 33.7707 -16.9586
BOND 48
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1 #Up
14 10 15 1 #Up
15 11 16 1
16 11 17 1
17 11 18 1 #Up
18 14 19 1
19 15 20 1
20 15 21 1
21 16 22 1
22 17 23 1
23 19 24 1
24 19 25 2
25 20 26 1
26 21 27 1
27 22 28 1
28 23 29 1 #Up
29 26 30 1
30 28 31 1 #Down
31 29 32 1
32 29 33 1
33 31 34 1
34 32 35 1
35 33 36 1
36 34 37 1
37 34 38 2
38 35 39 1
39 7 10 1
40 8 12 1
41 13 16 1
42 23 28 1
43 27 30 1
44 36 39 1
45 39 40 1
46 39 41 1
47 30 42 1
48 30 43 1
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