ATOM 41
1 C1y C 22.1205 -22.2319
2 C1y C 22.1223 -23.5916
3 O2x O 20.9343 -21.5603
4 C1y C 20.9509 -24.2806
5 O1a O 23.3003 -24.2654
6 C1x C 19.7578 -22.2465
7 C1y C 19.7676 -23.6039
8 O1a O 20.9526 -25.6404
9 O1a O 18.5911 -24.2900
10 C1z C 30.4025 -17.4945
11 C1y C 30.3908 -18.8516
12 C1y C 31.5733 -16.8129
13 C1x C 29.2317 -16.8012
14 C1a C 30.3908 -16.1372
15 C1y C 29.2084 -19.5215
16 C1x C 32.7383 -18.8632
17 C1y C 32.7440 -17.5061
18 C1y C 31.5733 -15.4558
19 C1x C 28.0493 -17.4769
20 C1y C 28.0376 -18.8283
21 C1x C 29.2084 -20.8728
22 O2x O 33.9148 -16.8188
23 C1z C 33.9090 -15.4616
24 C1a C 30.6123 -14.4947
25 C1z C 26.8669 -19.5039
26 C1x C 28.0260 -21.5426
27 C1x C 35.0856 -16.1431
28 O2x O 33.9148 -14.1045
29 C1z C 26.8611 -20.8669
30 C1y C 25.6904 -18.8225
31 C1a C 26.8552 -18.1409
32 C1x C 36.2622 -15.4616
33 C1x C 35.0915 -13.4229
34 C1x C 25.6904 -21.5426
35 O1a O 26.8436 -22.2183
36 C1x C 24.5079 -19.5039
37 O1a O 25.6904 -17.4653
38 C1y C 36.2680 -14.1045
39 C1y C 24.5079 -20.8669
40 C1a C 37.4447 -13.4229
41 O2a O 23.3313 -21.5426
BOND 47
1 4 8 1 #Up
2 7 9 1 #Up
3 6 7 1
4 1 2 1
5 1 3 1
6 2 4 1
7 2 5 1 #Down
8 3 6 1
9 4 7 1
10 10 11 1
11 10 12 1
12 10 13 1
13 10 14 1 #Up
14 11 15 1
15 11 16 1
16 12 17 1
17 12 18 1
18 13 19 1
19 15 20 1
20 15 21 1
21 17 22 1
22 18 23 1
23 18 24 1 #Down
24 20 25 1
25 21 26 1
26 23 27 1
27 23 28 1 #Down
28 25 29 1
29 25 30 1
30 25 31 1 #Up
31 27 32 1
32 28 33 1
33 29 34 1
34 29 35 1 #Up
35 30 36 1
36 30 37 1 #Up
37 32 38 1
38 34 39 1
39 38 40 1 #Up
40 39 41 1 #Up
41 16 17 1
42 19 20 1
43 22 23 1
44 26 29 1
45 33 38 1
46 36 39 1
47 1 41 1 #Up
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