ATOM 32
1 C8y C 19.6000 -15.6800
2 C7a C 19.6000 -14.2800
3 C8x C 20.7900 -16.3800
4 C8x C 18.4100 -16.3800
5 O6a O 18.4100 -13.5800
6 C8x C 20.7900 -17.7800
7 C8x C 18.4100 -17.7800
8 C8y C 19.6000 -18.4800
9 O1a O 19.6000 -19.8800
10 N4y N 29.8200 -12.4600
11 C8y C 30.8700 -13.1600
12 C1y C 28.4900 -12.8800
13 C8x C 30.3100 -11.0600
14 C8y C 32.1300 -12.2500
15 N5x N 31.0100 -14.6300
16 O2x O 27.3700 -11.9700
17 C1y C 28.0700 -14.1400
18 N5x N 31.7100 -11.0600
19 C8y C 33.3900 -12.8100
20 C8x C 32.3400 -15.1900
21 C1y C 26.2500 -12.8100
22 C1y C 26.6700 -14.1400
23 N5x N 33.5300 -14.2800
24 N1a N 34.4400 -11.9700
25 C1b C 24.9200 -12.3900
26 O2b O 23.8700 -13.3000
27 P1b P 22.4700 -13.3000
28 O1c O 22.4700 -14.7000
29 O1c O 22.4700 -11.9000
30 O7a O 21.0700 -13.3000
31 O1a O 26.1100 -15.3300
32 O1a O 28.7000 -15.3300
BOND 35
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 2
6 4 7 1
7 6 8 1
8 8 9 1
9 7 8 2
10 10 11 1
11 12 10 1 #Up
12 10 13 1
13 11 14 2
14 11 15 1
15 12 16 1
16 12 17 1
17 13 18 2
18 14 19 1
19 15 20 2
20 16 21 1
21 17 22 1
22 19 23 2
23 19 24 1
24 21 25 1 #Up
25 25 26 1
26 26 27 1
27 27 28 2
28 27 29 1
29 14 18 1
30 20 23 1
31 21 22 1
32 27 30 1
33 22 31 1 #Down
34 17 32 1 #Down
35 2 30 1
| 
