ATOM 44
1 C1y C 31.2449 -22.6404
2 C1y C 30.8278 -23.9801
3 C1x C 31.9804 -24.7890
4 C1x C 33.1032 -23.9393
5 N1y N 32.6456 -22.6154
6 C1y C 27.6123 -21.9576
7 N1b N 28.8232 -22.6475
8 C5a C 30.0340 -21.9505
9 C8x C 20.3559 -20.5219
10 C8y C 20.3559 -21.9228
11 C8y C 21.5729 -22.6197
12 C8y C 21.5729 -19.8179
13 C8y C 22.7759 -20.5219
14 C8y C 22.7698 -21.9228
15 C7x C 23.9811 -22.6248
16 O7x O 25.1985 -21.9331
17 C1x C 23.9931 -19.8231
18 N1x N 26.4152 -19.8427
19 C1y C 26.4265 -18.4454
20 C1x C 25.2213 -17.7405
21 S2x S 24.0044 -18.4256
22 C5x C 27.5536 -20.5567
23 C1x C 26.3922 -22.6446
24 C5a C 27.6466 -17.7584
25 O5a O 28.8550 -18.4652
26 N1b N 27.6579 -16.3575
27 C1c C 28.8778 -15.6634
28 C1a C 28.8893 -14.2624
29 C6a C 30.0862 -16.3773
30 O6a O 30.0747 -17.7782
31 O6a O 31.3061 -15.6832
32 O5x O 28.8437 -19.8626
33 C5a C 33.4433 -21.4652
34 C1c C 34.8441 -21.4583
35 N1a N 35.5543 -22.6689
36 C1b C 35.5421 -20.2475
37 O5a O 32.7957 -20.2310
38 O1a O 36.9421 -20.2474
39 O1a O 29.5024 -24.4398
40 O5a O 30.0309 -20.5496
41 O1a O 21.5746 -18.4168
42 O1a O 19.1419 -22.6204
43 C1a C 21.5761 -24.0208
44 O6a O 23.9752 -24.0258
BOND 46
1 22 6 1
2 16 23 1
3 10 11 2
4 6 23 1
5 11 14 1
6 19 24 1 #Up
7 13 12 1
8 24 25 2
9 12 9 2
10 24 26 1
11 1 2 1
12 26 27 1
13 6 7 1 #Up
14 27 28 1 #Up
15 2 3 1
16 27 29 1
17 7 8 1
18 29 30 1
19 13 14 2
20 29 31 2
21 14 15 1
22 22 32 2
23 15 16 1
24 5 33 1
25 17 13 1
26 33 34 1
27 1 8 1 #Up
28 34 35 1
29 3 4 1
30 34 36 1
31 4 5 1
32 33 37 2
33 5 1 1
34 36 38 1
35 2 39 1 #Up
36 18 19 1
37 8 40 2
38 19 20 1
39 12 41 1
40 20 21 1
41 10 42 1
42 21 17 1
43 11 43 1
44 9 10 1
45 15 44 2
46 18 22 1
|