ATOM 37
1 O2a O 26.2500 -17.2900
2 C1y C 27.7200 -18.2700
3 C1x C 27.7200 -19.6000
4 O2x O 28.9100 -17.5700
5 C1y C 28.9100 -20.3000
6 C1y C 30.1000 -18.2700
7 C1y C 30.1000 -19.6000
8 N1a N 28.9100 -21.6300
9 C1a C 31.2200 -17.5700
10 O1a O 31.2200 -20.3000
11 C1z C 27.4400 -13.5100
12 O1a O 28.6300 -14.5600
13 C1c C 28.6300 -12.8800
14 O1a O 28.6300 -11.5500
15 C8y C 23.9400 -12.8800
16 C8x C 17.9900 -13.5100
17 C8x C 19.1800 -12.8100
18 C8y C 20.3700 -13.5100
19 C5x C 21.5600 -12.8800
20 C8y C 22.7500 -13.5100
21 C8x C 17.9900 -15.1200
22 C8y C 25.1300 -13.5100
23 C1x C 26.3200 -12.8800
24 C8y C 19.1800 -15.7500
25 C8y C 20.3700 -15.1200
26 C5x C 21.5600 -15.7500
27 C8y C 22.7500 -15.1200
28 C8y C 23.9400 -15.8200
29 C8y C 25.1300 -15.1200
30 C1y C 26.2500 -15.8200
31 C1x C 27.4400 -15.1200
32 O1a O 19.1800 -17.1500
33 O5x O 21.5600 -17.1500
34 O1a O 23.9400 -17.1500
35 O5x O 21.5600 -11.5500
36 O1a O 23.9400 -11.5500
37 C1a C 29.8200 -13.5800
BOND 41
1 19 20 1
2 20 15 1
3 6 7 1
4 16 21 1
5 15 22 2
6 2 1 1 #Down
7 22 23 1
8 23 11 1
9 11 12 1 #Down
10 21 24 2
11 2 3 1
12 24 25 1
13 11 13 1 #Up
14 25 26 1
15 2 4 1
16 26 27 1
17 13 14 1
18 27 28 1
19 3 5 1
20 28 29 2
21 4 6 1
22 29 30 1
23 5 7 1
24 30 31 1
25 16 17 2
26 24 32 1
27 5 8 1 #Up
28 26 33 2
29 17 18 1
30 28 34 1
31 30 1 1 #Down
32 18 25 2
33 20 27 2
34 22 29 1
35 6 9 1 #Up
36 19 35 2
37 11 31 1
38 18 19 1
39 15 36 1
40 7 10 1 #Up
41 13 37 1
| 
