ATOM 42
1 C1y C 24.8434 -15.5594
2 C1y C 23.6429 -14.8403
3 C1y C 23.6699 -13.4400
4 C1y C 24.8970 -12.7600
5 C1y C 26.0969 -13.4869
6 O2x O 26.0697 -14.8872
7 O1a O 22.4234 -15.5140
8 O1a O 22.4771 -12.7132
9 O1a O 24.9241 -11.3599
10 C1b C 27.3241 -12.8070
11 O1a O 27.3486 -11.4138
12 C8y C 24.8164 -16.9553
13 C8y C 26.0118 -17.6586
14 C8y C 23.5948 -17.6586
15 C8y C 26.0059 -19.0621
16 O2x O 27.2290 -16.9654
17 C8y C 23.5890 -19.0621
18 O1a O 22.3718 -16.9597
19 C8y C 24.8120 -19.7610
20 C8y C 27.2174 -19.7669
21 C8x C 28.4344 -17.6702
22 C1y C 22.3659 -19.7610
23 O1a O 24.8120 -21.0245
24 C8y C 28.4287 -19.0737
25 O5x O 27.2115 -21.1645
26 O2x O 21.1604 -19.0621
27 C1y C 22.3659 -21.1645
28 C8y C 29.6400 -19.7785
29 C1y C 19.9491 -19.7610
30 C1y C 21.1604 -21.8576
31 O1a O 23.5890 -21.8576
32 C8x C 29.6283 -21.1761
33 C8x C 30.8514 -19.0796
34 C1y C 19.9491 -21.1645
35 C1b C 18.7319 -19.0621
36 O1a O 21.1604 -23.2611
37 C8x C 30.8398 -21.8809
38 C8x C 32.0627 -19.7900
39 O1a O 18.7319 -21.8576
40 O1a O 17.5206 -19.7610
41 C8y C 32.0570 -21.1878
42 O1a O 33.2683 -21.8926
BOND 46
1 4 5 1
2 5 6 1
3 6 1 1
4 2 7 1 #Down
5 3 8 1 #Up
6 4 9 1 #Down
7 5 10 1 #Up
8 10 11 1
9 1 12 1 #Up
10 1 2 1
11 2 3 1
12 3 4 1
13 12 13 1
14 12 14 2
15 13 15 2
16 13 16 1
17 14 17 1
18 14 18 1
19 15 19 1
20 15 20 1
21 16 21 1
22 22 17 1 #Up
23 19 23 1
24 20 24 1
25 20 25 2
26 22 26 1
27 22 27 1
28 24 28 1
29 26 29 1
30 27 30 1
31 27 31 1 #Down
32 28 32 2
33 28 33 1
34 29 34 1
35 29 35 1 #Up
36 30 36 1 #Up
37 32 37 1
38 33 38 2
39 34 39 1 #Down
40 35 40 1
41 37 41 2
42 41 42 1
43 17 19 2
44 21 24 2
45 30 34 1
46 38 41 1
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