ATOM 45
1 N1y N 28.5600 -14.3500
2 C1x C 28.9800 -12.9500
3 C1x C 30.1700 -12.3900
4 C1x C 29.5400 -15.4000
5 C1x C 31.4300 -12.8800
6 C1x C 30.9400 -15.4000
7 N1y N 31.7800 -14.3500
8 C8y C 18.9000 -15.7500
9 C8y C 18.9000 -14.3500
10 C8x C 20.0900 -13.6500
11 C8y C 21.2800 -14.3500
12 C8x C 21.2800 -15.7500
13 C8y C 20.0900 -16.4500
14 O2a O 20.0900 -17.8500
15 C1a C 18.9000 -18.5500
16 O2a O 17.6400 -16.4500
17 C1a C 16.4500 -15.7500
18 O2a O 17.6400 -13.6500
19 C1a C 17.6400 -12.2500
20 C7a C 22.5400 -13.6500
21 O7a O 23.7300 -14.3500
22 C1b C 24.9200 -13.6500
23 C1b C 26.1800 -14.3500
24 C1b C 27.3700 -13.6500
25 O6a O 22.5400 -12.2500
26 C1b C 32.9700 -13.6500
27 C1b C 34.1600 -14.3500
28 C1b C 35.4200 -13.6500
29 O7a O 36.6100 -14.3500
30 C7a C 37.8000 -13.6500
31 C8y C 38.9900 -14.2800
32 O6a O 37.8000 -12.2500
33 C8x C 38.9900 -15.7500
34 C8y C 40.1800 -16.4500
35 C8y C 41.4400 -15.7500
36 C8y C 41.4400 -14.2800
37 C8x C 40.1800 -13.5800
38 O2a O 40.1800 -17.8500
39 C1a C 41.4400 -18.5500
40 O2a O 42.6300 -16.4500
41 C1a C 43.8200 -15.7500
42 O2a O 42.6300 -13.5800
43 C1a C 42.6300 -12.2500
44 X Cl 29.4000 -17.6400
45 X Cl 29.4000 -17.6400
BOND 45
1 1 2 1
2 2 3 1
3 1 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 7 1
8 8 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 8 1
14 13 14 1
15 14 15 1
16 8 16 1
17 16 17 1
18 9 18 1
19 18 19 1
20 11 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 20 25 2
26 24 1 1
27 7 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 30 32 2
34 31 33 2
35 33 34 1
36 34 35 2
37 35 36 1
38 36 37 2
39 31 37 1
40 34 38 1
41 38 39 1
42 35 40 1
43 40 41 1
44 36 42 1
45 42 43 1
BRACKET 1 27.7200 -18.4100 27.7200 -16.7300
1 30.2400 -16.7300 30.2400 -18.4100
1 2
ORIGINAL 1 44
REPEAT 1 45
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