ATOM 42
1 C8y C 22.9035 -19.0337
2 N5x N 24.0304 -18.2231
3 C8y C 23.5953 -16.8945
4 C8x C 22.2045 -16.8945
5 O2x O 21.7694 -18.2231
6 C8y C 22.9035 -20.4245
7 C8x C 21.7724 -21.2539
8 O2x O 22.2045 -22.5763
9 C8y C 23.5953 -22.5763
10 N5x N 24.0272 -21.2539
11 O2x O 25.7982 -25.5204
12 C8y C 26.6162 -24.3998
13 N5x N 25.8057 -23.2668
14 C8y C 24.4825 -23.6941
15 C8x C 24.4778 -25.0842
16 C8y C 28.0071 -24.4044
17 C8x C 28.8233 -25.5243
18 O2x O 30.1472 -25.0966
19 C8y C 30.1518 -23.7058
20 N5x N 28.8309 -23.2693
21 N5x N 30.6997 -21.2294
22 C8y C 31.1418 -22.5482
23 C8x C 32.5333 -22.5356
24 C8y C 31.8096 -20.3993
25 C8y C 31.7933 -19.0085
26 C8y C 32.9108 -18.1857
27 O2x O 32.4703 -16.8667
28 C8y C 31.0776 -16.8852
29 N5x N 30.6650 -18.2153
30 C1x C 25.7962 -13.9362
31 S2x S 24.4778 -14.3740
32 C2y C 24.4866 -15.7640
33 N2x N 25.8118 -16.1852
34 C1y C 26.6150 -15.0471
35 C8y C 28.0058 -15.0347
36 N5x N 28.8245 -16.1656
37 C8y C 30.1446 -15.7216
38 C8y C 30.2001 -14.3288
39 O2x O 28.8010 -13.9123
40 O2x O 33.0065 -21.0953
41 C1a C 34.2443 -18.6050
42 C1a C 31.2516 -13.4944
BOND 50
1 14 15 2
2 1 6 1
3 9 10 2
4 1 2 2
5 21 22 1
6 23 40 1
7 24 21 2
8 3 4 2
9 24 25 1
10 5 1 1
11 11 12 1
12 12 13 2
13 13 14 1
14 25 26 2
15 27 28 1
16 28 29 2
17 29 25 1
18 3 32 1
19 15 11 1
20 12 16 1
21 19 20 2
22 6 7 2
23 30 31 1
24 32 33 2
25 34 30 1
26 8 9 1
27 34 35 1
28 10 6 1
29 9 14 1
30 16 17 2
31 18 19 1
32 35 36 2
33 39 35 1
34 31 32 1
35 34 33 1
36 4 5 1
37 3 2 1
38 7 8 1
39 17 18 1
40 20 16 1
41 24 40 1
42 36 37 1
43 39 38 1
44 26 27 1
45 19 22 1
46 26 41 1
47 38 37 2
48 37 28 1
49 22 23 2
50 38 42 1
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