ATOM 45
1 C1x C 9.1700 -22.5400
2 N1y N 9.1700 -23.9400
3 C1y C 10.3600 -24.6400
4 C8y C 11.6200 -23.9400
5 C8y C 11.6200 -22.5400
6 C1x C 10.3600 -21.8400
7 C8y C 12.8100 -24.6400
8 C8y C 14.0000 -23.9400
9 C8y C 14.0000 -22.5400
10 C8x C 12.8100 -21.8400
11 O2x O 15.3300 -24.3600
12 C1x C 16.1700 -23.2400
13 O2x O 15.3300 -22.1200
14 O2x O 12.8100 -28.1400
15 C8y C 14.0000 -28.8400
16 C8x C 14.0000 -30.2400
17 C8y C 15.2600 -30.9400
18 C8y C 16.4500 -30.2400
19 C8x C 16.4500 -28.8400
20 C8y C 15.2600 -28.1400
21 C1x C 10.3600 -26.0400
22 C1a C 7.9800 -24.6400
23 C8y C 9.1700 -26.7400
24 C8x C 7.9800 -26.0400
25 C8x C 6.7200 -26.7400
26 C8y C 6.7200 -28.1400
27 C8x C 7.9100 -28.8400
28 C8x C 9.1700 -28.1400
29 O2x O 5.5300 -28.8400
30 C8y C 5.5300 -30.2400
31 C8y C 4.3400 -30.9400
32 C8x C 4.3400 -32.3400
33 C8x C 5.5300 -33.0400
34 C8y C 6.7200 -32.3400
35 C8x C 6.7200 -30.9400
36 O2a O 3.1500 -30.2400
37 C1a C 1.9600 -30.9400
38 C1y C 15.2600 -32.3400
39 C1x C 11.1524 -33.4600
40 O2a O 15.2772 -26.7401
41 C1a C 16.4851 -26.0624
42 N1y N 16.4724 -33.0400
43 C1x C 17.6849 -32.3400
44 C1x C 17.6849 -30.9400
45 C1a C 16.4724 -34.4398
BOND 52
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 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 8 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 7 14 1
17 14 15 1
18 15 16 2
19 16 17 1
20 17 18 2
21 18 19 1
22 19 20 2
23 15 20 1
24 3 21 1
25 2 22 1
26 21 23 1
27 23 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 23 28 1
33 26 29 1
34 29 30 1
35 30 31 2
36 31 32 1
37 32 33 2
38 33 34 1
39 34 35 2
40 30 35 1
41 31 36 1
42 36 37 1
43 34 39 1
44 20 40 1
45 40 41 1
46 38 42 1
47 42 43 1
48 43 44 1
49 44 18 1
50 42 45 1
51 39 38 1
52 38 17 1
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