ATOM 41
1 C1y C 18.6200 -16.8700
2 C1y C 19.8800 -16.1700
3 C1y C 17.4300 -16.1700
4 O1a O 18.6200 -18.2700
5 C1y C 19.8800 -14.7700
6 O1a O 21.0700 -16.8700
7 C1x C 17.4300 -14.7700
8 O2a O 16.2400 -16.8700
9 O2x O 18.6200 -14.0700
10 O2a O 21.0700 -14.0700
11 C1y C 23.4500 -14.0700
12 C1y C 24.7100 -13.3700
13 C1y C 22.2600 -13.3700
14 O1a O 23.4500 -15.4700
15 C1y C 24.7100 -11.9700
16 O1a O 25.9000 -14.0700
17 C1x C 22.2600 -11.9700
18 O2x O 23.4500 -11.2700
19 O1a O 25.9000 -11.2700
20 C1y C 13.7900 -19.6700
21 C1y C 15.0500 -18.9700
22 C1y C 12.6000 -18.9700
23 O1a O 13.7900 -21.0700
24 C1y C 15.0500 -17.5700
25 O2a O 16.2400 -19.6700
26 C1x C 12.6000 -17.5700
27 O1a O 11.4100 -19.6700
28 O2x O 13.7900 -16.8700
29 O1a O 16.2400 -22.4700
30 C1y C 17.4300 -21.7700
31 C1y C 18.6900 -22.4700
32 C1y C 17.4300 -20.3700
33 C1y C 19.8800 -21.7700
34 O1a O 18.6900 -23.8700
35 O2x O 18.6900 -19.6700
36 C1y C 19.8800 -20.3700
37 O2a O 21.0700 -22.4700
38 C6a C 21.0700 -19.6700
39 O6a O 22.1200 -20.5800
40 O6a O 21.0700 -18.2700
41 C1a C 21.0700 -23.8700
BOND 44
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 3 8 1 #Down
8 5 9 1
9 7 9 1
10 5 10 1 #Up
11 11 12 1
12 11 13 1
13 11 14 1 #Up
14 12 15 1
15 12 16 1 #Down
16 13 17 1
17 13 10 1 #Down
18 15 18 1
19 15 19 1 #Either
20 17 18 1
21 20 21 1
22 20 22 1
23 20 23 1 #Up
24 21 24 1
25 21 25 1 #Down
26 22 26 1
27 22 27 1 #Down
28 24 28 1
29 24 8 1 #Up
30 26 28 1
31 30 29 1 #Up
32 30 31 1
33 30 32 1
34 31 33 1
35 31 34 1 #Down
36 32 35 1
37 32 25 1 #Up
38 33 36 1
39 33 37 1 #Up
40 36 38 1 #Down
41 38 39 1
42 38 40 2
43 35 36 1
44 37 41 1
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