ATOM 77
1 C1y C 15.7639 -33.3529
2 O2x O 14.5688 -32.6356
3 C1y C 15.7511 -34.7650
4 C1y C 13.3221 -33.3261
5 C1y C 14.5279 -35.4467
6 O1a O 16.9462 -35.4748
7 C1y C 13.3080 -34.7389
8 C1b C 12.1286 -32.6073
9 O1a O 14.4998 -36.8457
10 O1a O 12.0900 -35.4108
11 O1a O 12.1391 -31.2030
12 C1y C 20.5570 -30.5137
13 C1y C 20.5822 -31.9109
14 O2x O 19.3335 -29.8327
15 C1y C 19.3877 -32.6290
16 O2a O 21.8111 -32.5873
17 C1x C 18.1987 -30.5525
18 C1y C 18.1658 -31.9571
19 O1a O 19.4130 -34.0260
20 C1y C 21.8277 -33.9730
21 O2a O 16.9735 -32.6692
22 O2x O 20.6315 -34.7041
23 C1y C 23.1270 -34.6450
24 C1y C 20.6568 -36.1010
25 C1y C 23.0951 -36.0571
26 O1a O 24.2645 -33.9201
27 C1y C 21.8884 -36.7727
28 C1b C 19.4652 -36.8144
29 O1a O 24.3199 -36.7168
30 O1a O 21.9135 -38.1697
31 C1z C 29.1816 -26.0006
32 C1y C 27.9752 -25.2879
33 C1z C 29.1699 -27.3884
34 C1y C 30.3952 -25.3055
35 O2x O 29.1699 -24.5882
36 C1x C 26.7629 -25.9701
37 C1z C 27.9635 -28.0810
38 C1x C 30.3647 -28.0869
39 C1a C 29.1524 -28.7820
40 C1z C 31.5956 -26.0311
41 C1x C 30.4127 -23.9177
42 C1y C 26.7629 -27.3637
43 C1x C 27.9635 -29.4746
44 C1a C 28.5690 -26.6698
45 C1y C 31.5770 -27.4118
46 C1x C 32.8091 -25.3548
47 C1a C 32.2770 -24.6244
48 C1z C 31.6248 -23.2368
49 C1z C 25.5379 -28.0635
50 C1x C 26.7384 -30.1699
51 O1a O 32.7786 -28.1173
52 C1y C 32.8267 -23.9482
53 C1a C 30.9263 -22.0245
54 C4a C 32.3153 -22.0138
55 C1y C 25.5320 -29.4629
56 C1x C 24.3257 -27.3637
57 C1a C 25.5263 -26.6571
58 O7a O 34.0460 -23.2673
59 C1z C 24.3257 -30.1568
60 C1x C 23.1064 -28.0635
61 C7a C 35.2465 -23.9844
62 C1y C 23.1064 -29.4629
63 C1b C 24.8488 -31.5187
64 C1a C 23.6187 -31.5105
65 C8y C 36.4587 -23.3034
66 O6a O 35.3035 -25.3909
67 O2a O 21.9058 -30.1568
68 C8y C 37.6709 -24.0031
69 C8x C 36.4587 -21.9038
70 C8x C 38.8902 -23.3034
71 N1b N 37.6709 -25.4026
72 C8x C 37.6769 -21.2159
73 C8x C 38.8902 -21.9098
74 C1a C 36.5100 -26.3065
75 O4a O 31.7393 -20.7539
76 O1a O 25.9948 -32.3574
77 O1a O 18.3136 -36.8347
BOND 86
1 14 17 1
2 15 18 1
3 15 19 1 #Up
4 20 16 1 #Up
5 18 21 1 #Up
6 20 22 1
7 20 23 1
8 22 24 1
9 23 25 1
10 23 26 1 #Down
11 24 27 1
12 24 28 1 #Up
13 25 29 1 #Up
14 27 30 1 #Down
15 17 18 1
16 25 27 1
17 5 9 1 #Up
18 7 10 1 #Down
19 8 11 1
20 5 7 1
21 1 2 1
22 1 3 1
23 2 4 1
24 3 5 1
25 3 6 1 #Down
26 4 7 1
27 4 8 1 #Up
28 12 13 1
29 12 14 1
30 13 15 1
31 31 32 1
32 31 33 1
33 31 34 1
34 31 35 1 #Up
35 32 36 1
36 33 37 1
37 33 38 1
38 33 39 1 #Down
39 34 40 1
40 34 41 1
41 36 42 1
42 37 43 1
43 37 44 1 #Up
44 38 45 1
45 40 46 1
46 40 47 1 #Up
47 41 48 1
48 42 49 1
49 43 50 1
50 45 51 1 #Up
51 46 52 1
52 48 53 1 #Down
53 48 54 1 #Up
54 49 55 1
55 49 56 1
56 49 57 1 #Up
57 52 58 1 #Up
58 55 59 1
59 56 60 1
60 58 61 1
61 59 62 1
62 59 63 1 #Down
63 59 64 1 #Up
64 61 65 1
65 61 66 2
66 62 67 1 #Up
67 65 68 1
68 65 69 2
69 68 70 2
70 68 71 1
71 69 72 1
72 70 73 1
73 71 74 1
74 32 35 1 #Up
75 37 42 1
76 40 45 1
77 48 52 1
78 50 55 1
79 60 62 1
80 72 73 2
81 12 67 1 #Up
82 1 21 1 #Up
83 13 16 1 #Down
84 54 75 2
85 63 76 1
86 28 77 1
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