ATOM 45
1 C1y C 8.6142 -19.1290
2 C1y C 7.4282 -19.7566
3 O2x O 8.6140 -17.6640
4 C1y C 6.1726 -19.0590
5 C1y C 7.4282 -16.9665
6 C1y C 6.1726 -17.6640
7 O1a O 4.9171 -19.7566
8 C1a C 7.4282 -15.5714
9 O1a O 4.9868 -16.8967
10 O1a O 7.3937 -21.0693
11 C1y C 15.6100 -17.9200
12 O2x O 14.4200 -17.2200
13 C1y C 13.1600 -17.9200
14 C1y C 13.1600 -19.3200
15 C1y C 14.4200 -20.0200
16 C1y C 15.6100 -19.3200
17 C6a C 11.9700 -17.2200
18 O2a O 10.9200 -20.3700
19 O1a O 14.4200 -21.4200
20 O1a O 16.7300 -20.3000
21 O6a O 11.9700 -15.8200
22 O6a O 10.7800 -17.9200
23 O2a O 20.5800 -15.6100
24 C1y C 18.6900 -14.4200
25 C1y C 17.5000 -15.1200
26 O2x O 18.6900 -13.0200
27 C1y C 16.2400 -14.4200
28 C1y C 17.5000 -12.3200
29 C1y C 16.2400 -13.0200
30 O1a O 14.9800 -15.1200
31 C1a C 17.5000 -10.9200
32 O1a O 15.0500 -12.2500
33 O2a O 17.5000 -17.0800
34 C1y C 25.1300 -13.0900
35 O2x O 23.9400 -12.3900
36 C1y C 22.6800 -13.0900
37 C1y C 22.6800 -14.4900
38 C1y C 23.8700 -15.1900
39 C1y C 25.1300 -14.4900
40 O1a O 26.3200 -15.1900
41 C6a C 21.4900 -12.3900
42 O1a O 23.8700 -16.5900
43 O6a O 21.4900 -10.9900
44 O6a O 20.3000 -13.0900
45 O1a O 26.4600 -12.1800
BOND 48
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 1 #Down
7 5 8 1 #Down
8 6 9 1 #Up
9 5 6 1
10 2 10 1 #Down
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 11 16 1
17 13 17 1 #Up
18 14 18 1 #Up
19 15 19 1 #Up
20 16 20 1 #Down
21 17 21 1
22 17 22 2
23 24 23 1 #Up
24 24 25 1
25 24 26 1
26 25 27 1
27 26 28 1
28 27 29 1
29 27 30 1 #Down
30 28 31 1 #Down
31 29 32 1 #Up
32 28 29 1
33 25 33 1 #Down
34 11 33 1 #Down
35 34 35 1
36 35 36 1
37 36 37 1
38 37 38 1
39 38 39 1
40 34 39 1
41 39 40 1 #Down
42 36 41 1 #Up
43 37 23 1 #Up
44 38 42 1 #Up
45 41 43 1
46 41 44 2
47 34 45 1 #Down
48 1 18 1 #Up
BRACKET 1 16.8000 -19.0400 16.8000 -16.0300
1 25.5500 -11.0600 25.5500 -14.0700
1 n
ORIGINAL 1 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38
1 39 40 41 42 43 44
REPEAT 1
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