ATOM 46
1 O2a O 22.0500 -10.9900
2 C8y C 23.3100 -10.2900
3 C8x C 24.5000 -10.9900
4 C8x C 25.7600 -10.3600
5 C8y C 25.7600 -8.9600
6 C8x C 24.5700 -8.1900
7 C8x C 23.3100 -8.8900
8 C1b C 26.9500 -8.2600
9 C1c C 28.2100 -8.9600
10 C1b C 29.4000 -8.2600
11 N1b N 30.5900 -8.9600
12 N1b N 28.2100 -10.3600
13 C2c C 29.4000 -11.0600
14 C2b C 29.4000 -12.4600
15 C1a C 30.5900 -10.3600
16 C5a C 28.2100 -13.1600
17 C8y C 28.2100 -14.5600
18 C8x C 27.0200 -15.2600
19 C8x C 27.0200 -16.6600
20 C8y C 28.2100 -17.3600
21 C8x C 29.4000 -16.6600
22 C8x C 29.4000 -15.2600
23 O5a O 26.9500 -12.4600
24 O2x O 16.6600 -8.9600
25 C8y C 18.0600 -8.9600
26 C8y C 18.4100 -10.2900
27 N5x N 17.3600 -11.1300
28 C8y C 16.2400 -10.2900
29 C1b C 20.7900 -10.2900
30 C1b C 19.6000 -10.9900
31 C1a C 18.8300 -7.8400
32 C8x C 12.6000 -12.3200
33 C8x C 12.6000 -10.9900
34 C8x C 13.7900 -10.2900
35 C8y C 15.0500 -10.9900
36 C8x C 15.0500 -12.3200
37 C8x C 13.7900 -13.0200
38 C1d C 28.2100 -18.7600
39 X F 26.9976 -19.4600
40 X F 29.4224 -19.4600
41 X F 28.2100 -20.1600
42 C7a C 31.8081 -8.2699
43 O7a O 32.9895 -8.9650
44 O6a O 31.7498 -6.8606
45 C1b C 34.1949 -8.2820
46 C1a C 35.3661 -8.9709
BOND 49
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 9 12 1 #Up
13 12 13 1
14 13 14 2
15 13 15 1
16 14 16 1
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 2
23 17 22 1
24 16 23 2
25 24 25 1
26 25 26 2
27 26 27 1
28 27 28 2
29 24 28 1
30 1 29 1
31 29 30 1
32 30 26 1
33 25 31 1
34 32 33 1
35 33 34 2
36 34 35 1
37 35 36 2
38 36 37 1
39 32 37 2
40 35 28 1
41 20 38 1
42 38 39 1
43 38 40 1
44 38 41 1
45 11 42 1
46 42 43 1
47 42 44 2
48 43 45 1
49 45 46 1
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