ATOM 43
1 C1z C 26.2577 -18.2498
2 O2x O 25.1443 -18.8760
3 C1x C 27.5102 -18.8760
4 O2x O 28.5539 -18.2498
5 C1z C 26.2577 -16.8581
6 C1z C 23.9615 -18.2498
7 C1y C 27.5102 -20.2676
8 C1y C 29.8064 -20.2676
9 C1x C 25.1443 -16.1623
10 C1a C 27.1622 -15.7450
11 C1a C 27.6493 -16.8581
12 C1y C 23.9615 -16.8581
13 C1x C 22.7786 -18.8760
14 O1a O 23.9615 -19.7811
15 C1y C 28.6234 -20.8939
16 O7x O 26.3272 -20.9636
17 C1c C 30.9893 -20.8939
18 C1a C 22.7786 -16.1623
19 C7x C 22.7786 -20.2676
20 C1a C 28.6931 -22.2855
21 C7x C 26.3274 -22.2855
22 C1b C 32.1026 -20.1980
23 C1a C 30.9893 -22.2160
24 O7x O 23.8919 -20.8939
25 O6a O 21.5957 -20.8939
26 C1x C 25.0748 -22.9814
27 O6a O 27.4406 -22.9814
28 C1b C 33.2855 -20.8939
29 C1y C 23.8919 -22.2855
30 C1c C 34.4684 -20.1980
31 C1c C 22.7786 -22.9814
32 C8y C 35.6516 -20.8244
33 O2a O 34.3987 -18.8760
34 C1a C 21.5957 -22.2855
35 O1a O 22.7786 -24.3035
36 C8x C 35.6512 -22.2160
37 C8y C 36.7647 -20.1980
38 C1a C 35.5816 -18.1801
39 C8y C 36.7647 -22.8422
40 C8x C 37.9476 -20.8244
41 C8x C 37.9476 -22.1464
42 O1a O 36.7647 -24.2338
43 X Br 36.7647 -18.8065
BOND 46
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 1 5 1
5 2 6 1
6 3 7 1
7 8 4 1
8 5 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 6 14 1 #Down
14 7 15 1
15 7 16 1
16 8 17 1
17 12 18 1 #Down
18 13 19 1
19 15 20 1 #Up
20 16 21 1
21 17 22 1
22 17 23 1 #Down
23 19 24 1
24 19 25 2
25 21 26 1
26 21 27 2
27 22 28 1
28 29 24 1
29 28 30 1
30 29 31 1
31 30 32 1
32 30 33 1 #Down
33 31 34 1
34 31 35 1 #Down
35 32 36 1
36 32 37 2
37 33 38 1
38 36 39 2
39 37 40 1
40 39 41 1
41 39 42 1
42 8 15 1
43 9 12 1
44 26 29 1
45 40 41 2
46 37 43 1
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