ATOM 44
1 C1y C 28.0720 -20.9064
2 C1y C 28.4803 -19.6572
3 C1z C 26.7624 -20.9064
4 O2a O 29.7476 -22.0058
5 O2a O 30.0120 -18.2997
6 O2x O 27.4113 -18.8944
7 C1y C 26.3662 -19.6572
8 C1b C 25.4593 -21.6333
9 C1y C 28.6665 -24.0778
10 C1y C 29.9819 -16.6779
11 C1a C 25.1228 -19.2487
12 O2b O 24.3359 -20.9665
13 C1y C 28.6665 -25.3991
14 O2x O 27.5192 -23.4233
15 C1y C 28.8526 -16.0113
16 C1y C 31.1291 -16.0113
17 C1y C 27.5192 -26.0659
18 C1y C 26.3901 -24.0778
19 C1y C 28.8526 -14.6899
20 N1b N 27.0269 -16.8280
21 C1y C 31.1291 -14.6899
22 O1a O 32.2583 -16.6600
23 C1y C 26.3901 -25.3991
24 O1a O 27.5192 -27.3753
25 C1b C 25.2610 -23.4233
26 C1y C 29.9819 -14.0351
27 O1a O 27.9384 -13.9589
28 C2c C 25.8976 -16.1734
29 O1a O 32.2583 -14.0292
30 O1a O 25.2548 -26.0480
31 O1a O 24.1257 -24.0778
32 N1b N 29.9759 -12.7258
33 N1a N 24.7625 -16.8220
34 N2a N 25.9036 -14.8642
35 C2c C 28.8468 -12.0771
36 N2a N 28.8407 -10.7738
37 N1a N 27.7175 -12.7318
38 N1b N 29.8708 -26.0922
39 C1a C 31.0774 -25.3930
40 P1b P 22.9359 -20.9665
41 O1c O 22.9359 -19.5664
42 O1c O 21.5359 -20.9665
43 O1c O 22.9359 -22.3665
44 O1a O 26.7624 -22.3064
BOND 46
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 9 4 1 #Up
9 10 5 1 #Down
10 7 11 1 #Down
11 8 12 1
12 9 13 1
13 9 14 1
14 10 15 1
15 10 16 1
16 13 17 1
17 14 18 1
18 15 19 1
19 15 20 1 #Up
20 16 21 1
21 16 22 1 #Up
22 17 23 1
23 17 24 1 #Down
24 18 25 1 #Down
25 19 26 1
26 19 27 1 #Down
27 20 28 1
28 21 29 1 #Down
29 23 30 1 #Up
30 25 31 1
31 26 32 1 #Up
32 28 33 1
33 28 34 2
34 32 35 1
35 35 36 2
36 35 37 1
37 6 7 1
38 18 23 1
39 21 26 1
40 13 38 1 #Up
41 38 39 1
42 12 40 1
43 40 41 2
44 40 42 1
45 40 43 1
46 3 44 1
|