ATOM 67
1 C1y C 23.6413 -22.4426
2 C1y C 24.7840 -23.1026
3 C1y C 23.6413 -21.1296
4 O2a O 22.0163 -23.3934
5 C1y C 25.9124 -22.4426
6 O2a O 24.7840 -24.4155
7 O2x O 24.7840 -20.4768
8 C1b C 22.4987 -20.4768
9 C1y C 20.3911 -24.3233
10 C1y C 25.9124 -21.1296
11 N1a N 26.9848 -23.6626
12 O1a O 21.3633 -21.1296
13 C1y C 20.3911 -25.6361
14 O2x O 19.2557 -23.6702
15 O2a O 27.5374 -20.2000
16 C1y C 19.2557 -26.2961
17 O2a O 21.8837 -27.2061
18 C1y C 18.1130 -24.3233
19 C1y C 29.1626 -19.2562
20 C1y C 18.1130 -25.6361
21 O1a O 19.2557 -27.6089
22 C6a C 16.9776 -23.6702
23 C1y C 29.1626 -17.9434
24 C1y C 30.3050 -19.9162
25 O1a O 16.9704 -26.2889
26 O6a O 15.8420 -24.3233
27 O6a O 16.9776 -22.3574
28 O2x O 30.3050 -17.2903
29 C6a C 28.0270 -17.2903
30 C1y C 31.4407 -19.2562
31 O1a O 30.3050 -21.2362
32 Z * 14.1532 -26.2747
33 C1y C 31.4407 -17.9434
34 O6a O 26.8846 -17.9434
35 O6a O 28.0270 -15.9775
36 O2a O 33.9061 -20.6862
37 O2a O 33.0729 -16.9993
38 C1y C 34.6909 -16.0627
39 C1y C 34.6909 -14.7497
40 C1y C 35.8333 -16.7227
41 O2x O 35.8333 -14.0969
42 C1b C 33.5555 -14.0969
43 C1y C 36.9690 -16.0627
44 O1a O 35.8333 -18.0426
45 C1x C 36.9690 -14.7497
46 O2a O 32.2355 -14.0827
47 N1b N 39.0144 -17.0027
48 Z * 39.4172 -13.3447
49 S4a S 30.9225 -14.0755
50 C5a C 39.0214 -18.3226
51 O1d O 30.9155 -15.3885
52 O1d O 30.9155 -12.7627
53 O1d O 29.6096 -14.0685
54 C1a C 40.1570 -18.9756
55 O5a O 37.8790 -18.9756
56 S4a S 21.8837 -28.6061
57 O1d O 21.8837 -30.0061
58 O1d O 23.3098 -28.6056
59 O1d O 20.5102 -28.6065
60 S4a S 24.7840 -25.8155
61 O1d O 24.7840 -27.2155
62 O1d O 26.1799 -25.8155
63 O1d O 23.3801 -25.8154
64 S4a S 33.9061 -22.0862
65 O1d O 33.9061 -23.4862
66 O1d O 35.2796 -22.0868
67 O1d O 32.4804 -22.0856
BOND 70
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Up
8 9 4 1 #Up
9 5 10 1
10 5 11 1 #Down
11 8 12 1
12 9 13 1
13 9 14 1
14 10 15 1 #Down
15 13 16 1
16 13 17 1 #Down
17 14 18 1
18 19 15 1 #Down
19 16 20 1
20 16 21 1 #Up
21 18 22 1 #Down
22 19 23 1
23 19 24 1
24 20 25 1 #Down
25 22 26 1
26 22 27 2
27 23 28 1
28 23 29 1 #Up
29 24 30 1
30 24 31 1 #Up
31 25 32 1
32 28 33 1
33 29 34 1
34 29 35 2
35 30 36 1 #Down
36 33 37 1 #Up
37 38 37 1 #Down
38 38 39 1
39 38 40 1
40 39 41 1
41 39 42 1 #Up
42 40 43 1
43 40 44 1 #Up
44 41 45 1
45 42 46 1
46 43 47 1 #Down
47 45 48 1 #Down
48 46 49 1
49 47 50 1
50 49 51 1
51 49 52 2
52 49 53 2
53 50 54 1
54 50 55 2
55 7 10 1
56 18 20 1
57 30 33 1
58 43 45 1
59 17 56 1
60 56 57 2
61 56 58 2
62 56 59 1
63 6 60 1
64 60 61 2
65 60 62 2
66 60 63 1
67 36 64 1
68 64 65 2
69 64 66 2
70 64 67 1
BRACKET 1 15.4000 -26.8800 15.4000 -25.5500
1 38.0100 -13.3700 38.0100 -14.7000
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16
1 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 33
1 34 35 36 37 38 39 40 41 42 43 44 45 46 47 49 50
1 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66
1 67
REPEAT 1
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