ATOM 63
1 C5a C 44.6888 -10.8704
2 C2c C 45.8103 -10.1694
3 C2b C 45.8103 -8.7675
4 C2b C 44.6888 -7.9266
5 C1a C 47.0020 -10.8704
6 O5a O 43.5672 -10.1694
7 N1b N 44.6888 -12.4826
8 C8y C 43.5672 -13.1836
9 C8y C 43.5672 -14.5154
10 C8y C 42.3055 -12.4826
11 C8y C 41.1840 -13.1836
12 C8y C 41.1840 -14.5154
13 C8y C 42.3055 -15.2164
14 C8y C 39.9923 -12.4826
15 C8y C 38.8007 -13.1836
16 C8y C 38.8007 -14.5154
17 C8y C 39.9923 -15.2164
18 O1a O 42.3055 -11.2908
19 O1a O 39.9923 -11.2908
20 O2a O 35.0159 -16.5482
21 O2x O 37.6791 -15.2164
22 C1z C 37.6791 -16.5482
23 C5x C 39.9923 -16.5482
24 C1a C 37.6791 -17.8800
25 O1a O 42.3055 -16.5482
26 O5x O 41.1139 -17.2492
27 C2b C 44.6888 -15.2164
28 N2b N 45.8804 -14.5154
29 N1y N 47.0721 -15.2164
30 C1x C 47.0721 -16.6183
31 C1x C 48.2637 -17.3193
32 N1y N 49.5254 -16.6183
33 C1x C 49.5254 -15.2164
34 C1x C 48.3338 -14.5154
35 C1a C 50.7171 -17.3193
36 C2b C 44.6888 -6.1066
37 C1c C 43.4763 -5.4066
38 C1c C 42.2639 -6.1066
39 C1c C 41.0515 -5.4066
40 C1c C 39.8390 -6.1066
41 C1a C 43.4763 -4.0066
42 O1a O 39.8390 -7.2266
43 C1c C 38.6266 -5.4066
44 C1c C 37.4314 -6.0966
45 O2b O 42.2639 -7.2266
46 C1a C 41.0515 -4.0066
47 C1a C 38.6266 -4.0066
48 C1c C 37.4314 -7.9166
49 O7a O 36.2189 -5.3966
50 C7a C 35.0065 -4.6966
51 O6a O 35.0065 -3.2966
52 C1a C 33.7921 -5.3977
53 C1c C 36.2189 -8.8266
54 C2b C 36.2189 -10.2266
55 C2b C 35.0065 -10.9266
56 O2a O 35.0065 -8.1266
57 C1a C 33.7941 -8.8266
58 C1a C 37.5882 -12.4836
59 C1a C 38.4338 -8.5466
60 P1b P 42.2639 -8.6266
61 O1c O 40.8639 -8.6266
62 O1c O 43.6639 -8.6266
63 O1c O 42.1116 -9.9789
BOND 67
1 1 2 1
2 2 3 2
3 3 4 1
4 2 5 1
5 1 6 2
6 1 7 1
7 7 8 1
8 8 9 1
9 8 10 2
10 10 11 1
11 11 12 1
12 12 13 1
13 11 14 2
14 14 15 1
15 15 16 2
16 16 17 1
17 12 17 2
18 10 18 1
19 14 19 1
20 13 9 2
21 16 21 1
22 21 22 1
23 20 22 1
24 17 23 1
25 22 23 1
26 22 24 1 #Down
27 13 25 1
28 26 23 2
29 9 27 1
30 27 28 2
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 29 34 1
38 32 35 1
39 4 36 2
40 36 37 1
41 37 38 1
42 38 39 1
43 39 40 1
44 37 41 1 #Up
45 40 42 1 #Up
46 40 43 1
47 43 44 1
48 38 45 1 #Down
49 39 46 1 #Down
50 43 47 1 #Down
51 44 48 1
52 44 49 1 #Up
53 49 50 1
54 50 51 2
55 50 52 1
56 48 53 1
57 53 54 1
58 54 55 2
59 53 56 1 #Down
60 56 57 1
61 55 20 1
62 15 58 1
63 48 59 1 #Down
64 45 60 1
65 60 61 2
66 60 62 1
67 60 63 1
|