ATOM 43
1 C8x C 16.3100 -10.7100
2 C8x C 16.3100 -12.1100
3 C8x C 17.5000 -12.7400
4 C8x C 18.7600 -12.1100
5 C8y C 18.7600 -10.7100
6 C8x C 17.5000 -10.0100
7 N4y N 19.9500 -10.0100
8 N4y N 19.9500 -8.6100
9 C1a C 18.7600 -7.9100
10 C8y C 21.2800 -10.4300
11 C8y C 22.1200 -9.3100
12 C8y C 21.2800 -8.1900
13 N1c N 23.5200 -9.3100
14 O5x O 21.7000 -11.7600
15 C1a C 21.7000 -6.8600
16 C1a C 24.1500 -7.9100
17 C1b C 24.2200 -10.5000
18 S4a S 25.5500 -10.5000
19 O1d O 27.0200 -10.5000 #-
20 O1d O 25.5500 -9.1000
21 O1d O 25.5500 -11.9000
22 Z Mg 31.2200 -9.5900 #2+
23 C8x C 16.3100 -10.7100
24 C8x C 16.3100 -12.1100
25 C8x C 17.5000 -12.7400
26 C8x C 18.7600 -12.1100
27 C8y C 18.7600 -10.7100
28 C8x C 17.5000 -10.0100
29 N4y N 19.9500 -10.0100
30 N4y N 19.9500 -8.6100
31 C1a C 18.7600 -7.9100
32 C8y C 21.2800 -8.1900
33 C8y C 22.1200 -9.3100
34 C8y C 21.2800 -10.4300
35 O5x O 21.7000 -11.7600
36 N1c N 23.5200 -9.3100
37 C1a C 24.1500 -7.9100
38 C1b C 24.2200 -10.5000
39 S4a S 25.5500 -10.5000
40 O1d O 27.0200 -10.5000 #-
41 O1d O 25.5500 -9.1000
42 O1d O 25.5500 -11.9000
43 C1a C 21.7000 -6.8600
BOND 44
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 7 10 1
11 10 11 1
12 11 12 2
13 8 12 1
14 11 13 1
15 10 14 2
16 12 15 1
17 13 16 1
18 13 17 1
19 17 18 1
20 18 19 1
21 18 20 2
22 18 21 2
23 23 24 2
24 24 25 1
25 25 26 2
26 26 27 1
27 27 28 2
28 23 28 1
29 27 29 1
30 29 30 1
31 30 31 1
32 29 34 1
33 34 33 1
34 33 32 2
35 30 32 1
36 33 36 1
37 34 35 2
38 32 43 1
39 36 37 1
40 36 38 1
41 38 39 1
42 39 40 1
43 39 41 2
44 39 42 2
BRACKET 1 14.9800 -13.7900 14.9800 -5.6000
1 27.9300 -5.6700 27.9300 -13.8600
1 2
ORIGINAL 1 1 2 3 4 5 6 7 8 9 12 11 10 14 13 16 17
1 18 19 20 21 15
REPEAT 1 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38
1 39 40 41 42 43
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