ATOM 64
1 C8y C 29.6879 -17.5405
2 C8y C 29.6996 -16.1456
3 N2y N 31.0129 -17.9782 #+
4 C8x C 28.4680 -18.2235
5 C1x C 31.0303 -15.7137
6 C8x C 28.4971 -15.4335
7 C1y C 31.8475 -16.8518
8 C2b C 31.0129 -19.3850
9 C8y C 27.2715 -17.5172
10 C8y C 27.2832 -16.1223
11 C6a C 33.2482 -16.8460
12 C2b C 32.2268 -20.0912
13 O1a O 26.0516 -18.2001
14 O2a O 26.0809 -15.4043
15 O6a O 33.9486 -15.6319
16 O6a O 33.9486 -18.0658 #-
17 C2y C 32.2268 -21.4977
18 C1y C 26.0866 -14.0034
19 C1x C 31.0069 -22.1924
20 C2x C 33.4408 -22.1924
21 C1y C 24.8668 -13.3032
22 O2x O 27.2948 -13.3032
23 C1y C 31.0069 -23.5990
24 C2y C 33.4408 -23.5990
25 O2a O 23.6469 -14.0094
26 C1y C 24.8668 -11.9081
27 C1y C 27.2948 -11.9024
28 N1x N 32.2268 -24.3053
29 C6a C 29.7930 -24.3053
30 C6a C 34.6549 -24.3053
31 C1y C 22.4329 -14.7098
32 C1y C 26.0809 -11.1961
33 O1a O 23.6469 -11.2020
34 C1b C 28.5088 -11.1961
35 O6a O 28.5731 -23.5990
36 O6a O 29.7930 -25.7059
37 O6a O 34.6549 -25.7059
38 O6a O 35.8748 -23.5990
39 C1y C 22.4329 -16.1164
40 O2x O 21.2188 -14.0094
41 O1a O 26.0809 -9.8012
42 O1a O 28.5030 -9.7952
43 C1y C 21.2188 -16.8110
44 O7a O 23.6469 -16.8110
45 C1y C 19.9991 -14.7098
46 C1y C 19.9991 -16.1164
47 O1a O 21.2188 -18.2176
48 C7a C 23.6411 -18.2001
49 C6a C 18.7850 -14.0034
50 O1a O 18.7850 -16.8168
51 C2b C 22.4387 -18.8889
52 O6a O 24.8493 -18.8946
53 O6a O 17.5651 -14.7098
54 O6a O 18.7850 -12.6028
55 C2b C 22.4387 -20.2779
56 C8y C 21.2305 -20.9666
57 C8x C 21.2247 -22.3616
58 C8x C 20.0282 -20.2721
59 C8y C 20.0223 -23.0504
60 C8x C 18.8258 -20.9608
61 C8y C 18.8200 -22.3500
62 O2a O 20.0165 -24.4395
63 O1a O 17.6001 -23.0387
64 C1a C 18.8026 -25.1282
BOND 69
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 6 10 2
10 7 11 1 #Up
11 8 12 1
12 9 13 1
13 10 14 1
14 11 15 2
15 11 16 1
16 12 17 2
17 18 14 1 #Up
18 17 19 1
19 17 20 1
20 18 21 1
21 18 22 1
22 19 23 1
23 20 24 2
24 21 25 1 #Down
25 21 26 1
26 22 27 1
27 23 28 1
28 23 29 1 #Down
29 24 30 1
30 31 25 1 #Up
31 26 32 1
32 26 33 1 #Up
33 27 34 1 #Up
34 29 35 1
35 29 36 2
36 30 37 1
37 30 38 2
38 31 39 1
39 31 40 1
40 32 41 1 #Down
41 34 42 1
42 39 43 1
43 39 44 1 #Down
44 40 45 1
45 43 46 1
46 43 47 1 #Up
47 44 48 1
48 45 49 1 #Up
49 46 50 1 #Down
50 48 51 1
51 48 52 2
52 49 53 1
53 49 54 2
54 51 55 2
55 55 56 1
56 56 57 1
57 56 58 2
58 57 59 2
59 58 60 1
60 59 61 1
61 59 62 1
62 61 63 1
63 62 64 1
64 5 7 1
65 9 10 1
66 24 28 1
67 27 32 1
68 45 46 1
69 60 61 2
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