ATOM 36
1 O2a O 25.4100 -17.7800
2 C1y C 27.0900 -18.6200
3 C1x C 27.0900 -19.9500
4 O2x O 28.2800 -17.9900
5 C1y C 28.2800 -20.6500
6 C1y C 29.4700 -18.6200
7 C1y C 29.4700 -19.9500
8 N1a N 28.2800 -21.9800
9 C1a C 30.5900 -17.9900
10 O1a O 30.5900 -20.6500
11 C1z C 26.6000 -14.0000
12 O1a O 27.7200 -14.9100
13 C1b C 27.7200 -13.3000
14 C8y C 23.1000 -13.3000
15 C8x C 17.1500 -14.0000
16 C8x C 18.3400 -13.3000
17 C8y C 19.5300 -14.0000
18 C5x C 20.7200 -13.3000
19 C8y C 21.9100 -14.0000
20 C8x C 17.1500 -15.5400
21 C8y C 24.2900 -14.0000
22 C1x C 25.4800 -13.3000
23 C8y C 18.3400 -16.2400
24 C8y C 19.5300 -15.5400
25 C5x C 20.7200 -16.2400
26 C8y C 21.9100 -15.5400
27 C8y C 23.1000 -16.2400
28 C8y C 24.2900 -15.5400
29 C1y C 25.4100 -16.2400
30 C1x C 26.6000 -15.6100
31 O1a O 18.3400 -17.5000
32 O5x O 20.7200 -17.5700
33 O1a O 23.1000 -17.5700
34 O5x O 20.7200 -11.9700
35 O1a O 23.1000 -11.9700
36 C1a C 28.9800 -14.0000
BOND 40
1 18 19 1
2 19 14 1
3 6 7 1
4 15 20 1
5 14 21 2
6 2 1 1 #Down
7 21 22 1
8 22 11 1
9 11 12 1 #Down
10 20 23 2
11 2 3 1
12 23 24 1
13 11 13 1 #Up
14 24 25 1
15 2 4 1
16 25 26 1
17 26 27 1
18 3 5 1
19 27 28 2
20 4 6 1
21 28 29 1
22 5 7 1
23 29 30 1
24 15 16 2
25 23 31 1
26 5 8 1 #Up
27 25 32 2
28 16 17 1
29 27 33 1
30 29 1 1 #Down
31 17 24 2
32 19 26 2
33 21 28 1
34 6 9 1 #Up
35 18 34 2
36 11 30 1
37 17 18 1
38 14 35 1
39 7 10 1 #Up
40 13 36 1
| 
