ATOM 30
1 C1y C 29.7365 -18.0977
2 C1y C 28.3729 -18.4125
3 C8y C 30.6922 -19.1233
4 N1y N 30.3425 -16.8332
5 C8y C 27.2772 -17.5383
6 O2x O 27.9649 -19.7528
7 C8y C 30.2844 -20.4520
8 C8x C 32.0558 -18.8086
9 C1x C 29.7307 -15.5686
10 C1a C 31.7411 -16.8273
11 C8y C 27.2772 -16.1456
12 C8x C 26.0652 -18.2493
13 C1y C 28.9207 -20.7785
14 C8y C 31.2284 -21.4776
15 C8x C 33.0057 -19.8343
16 C1x C 28.3671 -15.2714
17 C8x C 26.0652 -15.4463
18 C8y C 24.8472 -17.5442
19 O2a O 28.5535 -22.1245
20 C8y C 32.5920 -21.1688
21 O2a O 30.8204 -22.8122
22 C8y C 24.8472 -16.1456
23 O2a O 23.6352 -18.2493
24 C1a C 27.1899 -22.4799
25 O2a O 33.5768 -22.1536
26 C1a C 31.8111 -24.0887
27 O2a O 23.6352 -15.4463
28 C1a C 22.4230 -17.5442
29 C1a C 33.2155 -23.5056
30 C1a C 22.4230 -16.1397
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 2
15 9 16 1
16 11 17 1
17 12 18 2
18 13 19 1 #Up
19 14 20 2
20 14 21 1
21 17 22 2
22 18 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 22 27 1
27 23 28 1
28 25 29 1
29 27 30 1
30 7 13 1
31 11 16 1
32 15 20 1
33 18 22 1
| 
