ATOM 70
1 O2a O 6.7200 -7.9800
2 C1b C 7.9324 -7.2800
3 C1c C 9.1449 -7.9800
4 C1c C 10.3573 -7.2800
5 C1c C 11.5697 -7.9800
6 C5a C 12.7822 -7.2800
7 N1b N 13.9946 -7.9800
8 C1b C 15.2070 -7.2800
9 C1b C 16.4195 -7.9800
10 C1c C 17.6319 -7.2800
11 C8y C 18.8444 -7.9800
12 C1a C 5.5076 -7.2800
13 N1c N 9.1449 -9.7298
14 C1a C 10.3761 -10.4408
15 C1a C 7.9513 -10.4190
16 O1a O 10.3573 -5.8800
17 O1a O 11.5697 -9.3799
18 O5a O 12.7822 -5.8803
19 C1a C 17.6319 -5.8800
20 O2x O 18.9905 -9.3708
21 C8x C 20.3584 -9.6615
22 C8y C 21.0576 -8.4505
23 N5x N 20.1219 -7.4112
24 C2b C 22.2824 -7.7700
25 C2b C 23.4949 -8.4700
26 C1b C 24.7073 -7.7700
27 C1y C 25.9197 -8.4700
28 C1y C 25.9197 -9.8699
29 C1y C 27.1321 -10.5699
30 C1x C 28.3446 -9.8699
31 C1z C 28.3446 -8.4700
32 O2x O 27.1321 -7.7700
33 C1a C 24.6925 -10.5785
34 O1a O 27.1321 -12.8097
35 C1z C 29.0446 -9.6825
36 C1y C 30.4140 -9.3914
37 C1y C 30.5603 -7.9991
38 O2x O 29.2814 -7.4296
39 C1a C 29.0322 -11.1748
40 C1a C 30.0369 -11.0348
41 O2b O 31.9897 -10.6564
42 P1b P 33.1196 -11.7863
43 O1c O 34.1096 -12.7763
44 O1c O 31.9197 -12.8463
45 O1c O 34.3196 -10.7264
46 C1c C 31.8024 -7.2800
47 C1b C 33.0149 -7.9800
48 C1c C 34.2273 -7.2800
49 C1c C 35.4397 -7.9800
50 C1c C 36.6522 -7.2800
51 C1c C 37.8646 -7.9800
52 C2b C 39.0770 -7.2800
53 C2c C 40.2895 -7.9800
54 C2c C 41.5019 -7.2800
55 C2b C 42.7144 -7.9800
56 C2b C 43.9268 -7.2800
57 C2b C 45.1392 -7.9800
58 C2c C 46.3517 -7.2800
59 O2a O 31.8016 -5.8802
60 C1a C 30.5726 -5.1714
61 O1a O 34.2273 -5.8800
62 C1a C 35.4397 -9.3799
63 O1a O 36.6522 -5.8800
64 C1a C 37.8646 -9.3800
65 C1a C 40.2895 -9.3800
66 C1a C 41.5019 -5.8800
67 C2b C 47.5553 -7.9750
68 C1a C 46.3517 -5.8800
69 C3b C 47.5553 -9.3750
70 N3a N 47.5553 -10.7750
BOND 72
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 1 12 1
12 3 13 1 #Up
13 13 14 1
14 13 15 1
15 4 16 1 #Down
16 5 17 1 #Up
17 6 18 2
18 10 19 1 #Down
19 11 20 1
20 20 21 1
21 21 22 2
22 22 23 1
23 11 23 2
24 22 24 1
25 24 25 2
26 25 26 1
27 27 26 1 #Down
28 27 28 1
29 28 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 27 32 1
34 28 33 1 #Down
35 29 34 1 #Up
36 31 35 1
37 35 36 1
38 36 37 1
39 37 38 1
40 31 38 1 #Up
41 35 39 1
42 35 40 1
43 36 41 1 #Down
44 41 42 1
45 42 43 2
46 42 44 1
47 42 45 1
48 37 46 1
49 46 47 1
50 47 48 1
51 48 49 1
52 49 50 1
53 50 51 1
54 51 52 1
55 52 53 2
56 53 54 1
57 54 55 2
58 55 56 1
59 56 57 2
60 57 58 1
61 46 59 1 #Up
62 59 60 1
63 48 61 1 #Down
64 49 62 1 #Up
65 50 63 1 #Down
66 51 64 1 #Up
67 53 65 1
68 54 66 1
69 58 67 2
70 58 68 1
71 67 69 1
72 69 70 3
|