ATOM 32
1 Z Ca 15.1882 -16.1277 #2+
2 N1c N 13.7113 -17.8530
3 C1b C 12.5559 -17.1945
4 C1b C 14.3691 -19.0009
5 C5a C 15.6921 -18.9351
6 C1b C 12.7741 -18.7955
7 C6a C 11.4423 -18.8628
8 O6a O 10.7800 -17.7103 #-
9 O6a O 10.7753 -20.0124
10 N1b N 16.3531 -20.0883
11 C1a C 17.6823 -20.0925
12 O5a O 16.3407 -17.7893
13 N1c N 13.7113 -14.3219
14 C1b C 12.5566 -14.9797
15 C5a C 18.6369 -16.3286
16 N1b N 19.7842 -16.9996
17 N1c N 17.4974 -14.3287
18 C1b C 18.6445 -14.9997
19 C1b C 16.8407 -13.1824
20 C1b C 14.3765 -13.1782
21 C1b C 12.7770 -13.3765
22 C6a C 11.4423 -13.3754
23 C1b C 18.4303 -13.3818
24 C6a C 19.7529 -13.3754
25 O6a O 10.7768 -14.5259 #-
26 O6a O 10.7786 -12.2238
27 O6a O 20.4231 -14.5232 #-
28 O6a O 20.4119 -12.2210
29 C1a C 19.7766 -18.3288
30 O5a O 17.4819 -16.9865
31 Z Na 24.1835 -14.2481 #+
32 O0 O 25.1232 -17.6046
BOND 28
1 3 2 1
2 7 8 1
3 18 17 1
4 7 9 2
5 17 19 1
6 19 20 1
7 20 13 1
8 13 21 1
9 5 10 1
10 21 22 1
11 5 12 2
12 17 23 1
13 2 4 1
14 23 24 1
15 10 11 1
16 22 25 1
17 4 5 1
18 22 26 2
19 24 27 1
20 2 6 1
21 24 28 2
22 15 18 1
23 13 14 1
24 16 29 1
25 15 30 2
26 3 14 1
27 6 7 1
28 15 16 1
BRACKET 1 23.5200 -18.7600 23.5200 -16.7300
1 25.8300 -16.7300 25.8300 -18.7600
1 x
ORIGINAL 1 32
REPEAT 1
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