ATOM 42
1 X Cl 42.4781 -17.0769
2 O0 O 42.8279 -19.5957
3 C8x C 22.7500 -20.2300
4 C8y C 22.7500 -21.6300
5 C8x C 23.9624 -22.3300
6 C8x C 25.1749 -21.6300
7 C8y C 25.1749 -20.2300
8 C8x C 23.9624 -19.5300
9 C8x C 27.5997 -21.6300
10 C8y C 27.5997 -20.2300
11 C1c C 26.3873 -19.5300
12 C8x C 28.8122 -22.3300
13 C8y C 30.0246 -21.6300
14 C8x C 30.0246 -20.2300
15 C8x C 28.8122 -19.5300
16 X F 21.5376 -22.3300
17 X F 31.2411 -22.3323
18 C1b C 26.3873 -18.1300
19 C1b C 27.6018 -17.4288
20 C1b C 28.7983 -18.1198
21 N1y N 29.9851 -17.4346
22 C1x C 31.1766 -18.1228
23 C1x C 32.3891 -17.4229
24 N1y N 32.3893 -16.0229
25 C1x C 31.1978 -15.3348
26 C1y C 29.9853 -16.0346
27 C5a C 28.7521 -15.3222
28 N1a N 27.5497 -16.0162
29 O5a O 28.7524 -13.9301
30 C1b C 33.6141 -15.3158
31 C5a C 34.8220 -16.0132
32 N1b N 36.0032 -15.3313
33 O5a O 34.8223 -17.4296
34 C8y C 37.1975 -16.0211
35 C8y C 37.1975 -17.4297
36 C8x C 38.4099 -18.1298
37 C8x C 39.6224 -17.4298
38 C8x C 39.6224 -16.0212
39 C8y C 38.4100 -15.3211
40 X Cl 35.9645 -18.1418
41 X Cl 38.4102 -13.9301
42 X Cl 42.4781 -17.0769
BOND 42
1 3 4 2
2 4 5 1
3 5 6 2
4 6 7 1
5 7 8 2
6 3 8 1
7 9 10 1
8 10 11 1
9 7 11 1
10 9 12 2
11 12 13 1
12 13 14 2
13 14 15 1
14 10 15 2
15 4 16 1
16 13 17 1
17 11 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 21 26 1
27 26 27 1
28 27 28 1
29 27 29 2
30 24 30 1
31 30 31 1
32 31 32 1
33 31 33 2
34 32 34 1
35 34 35 2
36 35 36 1
37 36 37 2
38 37 38 1
39 38 39 2
40 34 39 1
41 35 40 1
42 39 41 1
BRACKET 1 40.8100 -17.9900 40.8100 -15.9600
1 43.4000 -15.9600 43.4000 -17.9900
1 2
ORIGINAL 1 1
REPEAT 1 42
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