ATOM 32
1 C1z C 29.9363 -21.6697
2 C8y C 28.5360 -21.6990
3 C1y C 30.3976 -22.9940
4 C1x C 30.8589 -20.6069
5 C2x C 29.6222 -20.2986
6 C8y C 28.1343 -23.0467
7 C8x C 27.5795 -20.6712
8 O2x O 29.2892 -23.8455
9 C1x C 31.7686 -23.2499
10 C1x C 32.2359 -20.8756
11 C2x C 30.6547 -19.3293
12 C8x C 26.7632 -23.3608
13 C8y C 26.2144 -20.9923
14 C5x C 32.6841 -22.1999
15 C5x C 30.1158 -18.0287
16 C8x C 25.7996 -22.3342
17 C2x C 25.5322 -19.8432
18 O5x O 34.0506 -22.5620
19 N1x N 31.0809 -16.8212
20 O5x O 28.9155 -18.0923
21 C2x C 24.1261 -19.7965
22 C1x C 30.8540 -15.5323
23 C5x C 23.4254 -18.5770
24 C1x C 29.9554 -14.7427
25 N1x N 24.1378 -17.3696
26 O5x O 22.0076 -18.5654
27 C1x C 28.4844 -14.8016
28 C1x C 23.4311 -16.1445
29 C1x C 27.6379 -16.1621
30 C1x C 24.1436 -14.9300
31 N1x N 26.2377 -16.1562
32 C1x C 25.5497 -14.9357
BOND 35
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 2
11 6 12 1
12 7 13 2
13 9 14 1
14 11 15 1
15 12 16 2
16 13 17 1
17 14 18 2
18 15 19 1
19 15 20 2
20 17 21 2
21 19 22 1
22 21 23 1
23 22 24 1
24 23 25 1
25 23 26 2
26 24 27 1
27 25 28 1
28 27 29 1
29 28 30 1
30 29 31 1
31 30 32 1
32 6 8 1
33 10 14 1
34 13 16 1
35 31 32 1
|