ATOM 39
1 C1x C 9.4500 -18.6900
2 C7x C 9.4500 -20.0900
3 O7x O 10.6624 -20.7900
4 C1y C 11.8749 -20.0900
5 C1a C 11.8749 -18.6900
6 C1x C 13.0873 -20.7900
7 C2y C 14.2998 -20.0900
8 C2x C 14.2998 -18.6900
9 C1y C 8.7500 -17.4776
10 C1x C 9.4500 -16.2651
11 C1y C 8.7500 -15.0527
12 C2x C 15.4973 -17.9985
13 C2x C 15.4972 -16.5985
14 C7x C 14.2847 -15.8986
15 C1a C 15.4973 -20.7815
16 C8y C 9.4500 -13.8376
17 N5x N 10.6104 -14.6232
18 C8y C 11.7157 -13.7639
19 S2x S 11.2399 -12.4472
20 C8x C 9.8407 -12.4928
21 O7x O 14.9800 -14.6776
22 O6a O 12.8847 -15.8986
23 C1x C 12.9024 -13.0900
24 C1y C 14.4649 -13.5800
25 C2b C 15.7024 -12.8800
26 C2c C 16.9149 -13.5800
27 C2b C 18.1273 -12.8800
28 C2b C 19.3397 -13.5800
29 C2c C 20.5522 -12.8800
30 C2b C 21.7646 -13.5800
31 C1b C 22.9770 -12.8800
32 C1a C 16.9149 -14.9798
33 C1a C 20.5522 -11.4803
34 N1c N 24.1766 -13.5727
35 C1a C 25.3659 -12.8860
36 C1a C 24.1767 -14.9797
37 C1a C 7.3500 -15.0534
38 N1a N 7.3502 -17.4776
39 O6a O 8.2376 -20.7900
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1 #Up
5 4 6 1
6 6 7 1
7 7 8 2
8 1 9 1
9 9 10 1
10 10 11 1
11 8 12 1
12 12 13 2
13 13 14 1
14 7 15 1
15 11 16 1
16 16 17 1
17 17 18 2
18 18 19 1
19 19 20 1
20 16 20 2
21 14 21 1
22 14 22 2
23 18 23 1
24 23 24 1
25 24 21 1 #Up
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 28 29 1
31 29 30 2
32 30 31 1
33 26 32 1
34 29 33 1
35 31 34 1
36 34 35 1
37 34 36 1
38 11 37 1 #Down
39 9 38 1 #Down
40 2 39 2
| 
