ATOM 29
1 C1y C 32.5347 -18.5627
2 N1y N 32.5347 -19.9582
3 C2y C 33.7435 -20.6559
4 C2y C 34.9521 -19.9582
5 C1x C 34.9521 -18.5627
6 S2x S 33.7435 -17.8648
7 C1y C 31.1390 -18.5627
8 C5x C 31.1390 -19.9582
9 N1b N 29.9305 -17.8648
10 C5a C 28.7218 -18.5627
11 O5a O 28.7218 -19.9582
12 O5x O 29.9305 -20.6559
13 C2c C 27.5130 -17.8648
14 C1b C 36.1791 -20.6671
15 C6a C 33.7435 -22.0513
16 O6a O 32.5179 -22.7590
17 O6a O 34.9351 -22.7395
18 C8y C 26.2850 -18.5743
19 O2x O 25.1336 -17.7635
20 C8x C 24.0020 -18.6083
21 C8x C 24.4557 -19.9455
22 C8x C 25.8677 -19.9274
23 N2b N 27.5129 -16.4479
24 O7a O 37.4050 -19.9599
25 C7a C 38.5897 -20.6445
26 N1a N 39.7826 -19.9561
27 O6a O 38.5893 -22.0472
28 O2a O 28.7250 -15.7481
29 C1a C 28.7252 -14.3465
BOND 31
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 19 20 1
22 20 21 2
23 21 22 1
24 18 22 2
25 13 23 2
26 14 24 1
27 24 25 1
28 25 26 1
29 25 27 2
30 23 28 1
31 28 29 1
|