ATOM 36
1 O2x O 18.6252 -17.9289
2 C1y C 18.6252 -19.3296
3 C1y C 19.8382 -20.0299
4 C1y C 21.0512 -19.3296
5 C1y C 21.0512 -17.9289
6 C1y C 19.8382 -17.2286
7 O2x O 22.3834 -19.7624
8 C1z C 23.2066 -18.6293
9 O2x O 22.3834 -17.4961
10 O2x O 24.4195 -19.3296
11 C1y C 25.6325 -18.6293
12 C1y C 25.6325 -17.2286
13 C1y C 24.4195 -16.5283
14 C1y C 23.2066 -17.2286
15 O2a O 19.8382 -15.8282
16 C1b C 17.4123 -20.0299
17 O1a O 19.8382 -21.4305
18 O1a O 26.8424 -16.5301
19 C1y C 18.6084 -15.1180
20 C1y C 18.6086 -13.7271
21 C1y C 17.3958 -13.0266
22 C1x C 16.1826 -13.7267
23 C1y C 16.1824 -15.1176
24 C1y C 17.3954 -15.8182
25 C1c C 26.8413 -19.3296
26 C1b C 28.0544 -18.6293
27 O1a O 29.2673 -19.3296
28 N1a N 26.8413 -20.7302
29 O1a O 24.4195 -15.1277
30 O1a O 22.5063 -16.0156
31 N1a N 14.9587 -15.8239
32 N1b N 17.3960 -11.6263
33 O1a O 19.8342 -13.0197
34 O1a O 17.3954 -17.2188
35 O1a O 16.2162 -19.3392
36 C1a C 18.5855 -10.9394
BOND 39
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 8 14 1
17 6 15 1 #Up
18 2 16 1 #Up
19 3 17 1 #Up
20 12 18 1 #Up
21 19 15 1 #Down
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 19 24 1
28 11 25 1
29 25 26 1
30 26 27 1
31 25 28 1 #Down
32 13 29 1 #Up
33 14 30 1 #Down
34 23 31 1 #Down
35 21 32 1 #Down
36 20 33 1 #Up
37 24 34 1 #Up
38 16 35 1
39 32 36 1
|