ATOM 31
1 C1y C 27.9020 -15.3573
2 N1y N 27.9020 -16.7262
3 C2y C 29.0875 -17.4104
4 C2y C 30.2730 -16.7262
5 C1x C 30.2730 -15.3573
6 S2x S 29.0875 -14.6729
7 C1z C 26.5331 -15.3573
8 C5x C 26.5331 -16.7262
9 N1b N 25.3478 -14.6729
10 C5a C 24.1623 -15.3573
11 O5a O 24.1623 -16.7262
12 O5x O 25.3478 -17.4104
13 C1b C 22.9769 -14.6729
14 C1b C 31.4765 -17.4214
15 C6a C 29.0875 -18.7791
16 O6a O 27.8855 -19.4732
17 O6a O 30.2563 -19.4540 #-
18 S2a S 21.7723 -15.3688
19 C1b C 20.5883 -14.6851
20 S2a S 32.6667 -16.7344
21 C8y C 33.8519 -17.4189
22 N5x N 34.3168 -18.7052
23 N5x N 35.6859 -18.6634
24 N5x N 36.0696 -17.3487
25 N4y N 34.9375 -16.5777
26 O2a O 26.5331 -13.1667
27 C1a C 27.7160 -12.4837
28 C1a C 34.9375 -15.1837
29 C3b C 19.3708 -15.3878
30 N3a N 18.1624 -16.0854
31 Z Na 31.8039 -19.4319 #+
BOND 32
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 1
9 2 8 1
10 7 9 1 #Up
11 9 10 1
12 10 11 2
13 8 12 2
14 10 13 1
15 4 14 1
16 3 15 1
17 15 16 2
18 15 17 1
19 13 18 1
20 18 19 1
21 14 20 1
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 21 25 1
28 7 26 1 #Down
29 26 27 1
30 25 28 1
31 19 29 1
32 29 30 3
|