ATOM 50
1 C1y C 7.2821 -16.7195
2 C1y C 7.2821 -18.1367
3 C1y C 8.4866 -18.7744
4 C1y C 9.6912 -18.1367
5 C2x C 9.6912 -16.7195
6 C2y C 8.4866 -16.0110
7 C1b C 8.4866 -14.3838
8 O2b O 9.6204 -13.6752
9 O1a O 6.0775 -18.7744
10 O1a O 8.4866 -20.1915
11 O1a O 6.0775 -16.0110
12 P1b P 11.0376 -13.6752
13 O1c O 11.0376 -12.2580
14 O1c O 12.4546 -13.6752
15 O1c O 11.0376 -15.0923
16 N1b N 10.8768 -18.8507
17 C1y C 12.0932 -18.1778
18 C1y C 13.3064 -18.8783
19 C1y C 14.5196 -18.1778
20 C1y C 14.5196 -16.7770
21 O2x O 13.3064 -16.0765
22 C1y C 12.0932 -16.7770
23 O1a O 13.3063 -20.3126
24 C1a C 10.9147 -16.0970
25 O1a O 15.7335 -18.8787
26 C1y C 25.7361 -15.6606
27 N4y N 27.0526 -15.2449
28 O2x O 24.6274 -14.8984
29 C1x C 25.3204 -17.0463
30 C8y C 28.0919 -16.1457
31 C8x C 27.3297 -13.8591
32 C1y C 23.5188 -15.6606
33 C1y C 23.9346 -17.0463
34 N4x N 29.4777 -15.7991
35 O5x O 27.8147 -17.5314
36 C8y C 28.7155 -13.4434
37 C1b C 22.1331 -15.2449
38 O1a O 23.1031 -18.1550
39 C8y C 29.7549 -14.3441
40 C1a C 28.9233 -12.0576
41 O2b O 21.1630 -16.2149
42 O5x O 31.1406 -13.9284
43 P1b P 19.7773 -16.2149
44 O2c O 18.3915 -16.2149
45 O1c O 19.7773 -17.6007
46 O1c O 19.7773 -14.8291
47 P1b P 17.0057 -16.2149
48 O2b O 15.6199 -16.2149
49 O1c O 17.0057 -17.6007
50 O1c O 17.0057 -14.8291
BOND 53
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 7 8 1
9 2 9 1 #Up
10 3 10 1 #Down
11 1 11 1 #Down
12 8 12 1
13 12 13 1
14 12 14 1
15 12 15 2
16 4 16 1 #Down
17 17 16 1 #Down
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 17 22 1
24 18 23 1 #Up
25 22 24 1 #Up
26 19 25 1 #Down
27 26 28 1
28 26 29 1
29 27 30 1
30 27 31 1
31 28 32 1
32 29 33 1
33 30 34 1
34 30 35 2
35 31 36 2
36 32 37 1 #Up
37 33 38 1 #Down
38 34 39 1
39 36 40 1
40 37 41 1
41 39 42 2
42 41 43 1
43 43 44 1
44 43 45 1
45 43 46 2
46 44 47 1
47 47 48 1
48 47 49 1
49 47 50 2
50 32 33 1
51 36 39 1
52 26 27 1 #Up
53 20 48 1 #Down
| 
