ATOM 76
1 C8y C 30.2543 -10.9194
2 C5a C 31.4615 -10.2204
3 N1b N 32.6688 -10.9194
4 C2c C 33.8761 -10.2204
5 C5a C 35.0834 -10.9194
6 N1b N 36.2906 -10.2204
7 C1b C 37.4979 -10.9194
8 C1c C 38.7052 -10.2204
9 C1a C 39.9125 -10.9194
10 C1c C 25.3698 -29.9862
11 C1a C 24.3628 -30.9629
12 C1a C 26.3393 -30.9930
13 C8y C 25.4237 -22.2342
14 C1c C 26.6309 -22.9262
15 C1c C 27.8382 -22.2273
16 C1a C 29.0455 -22.9191
17 C8y C 26.3558 -27.5928
18 S2x S 27.6381 -28.1564
19 C8x C 28.5702 -27.1145
20 C8y C 27.8673 -25.9064
21 N5x N 26.5010 -26.2012
22 C5a C 28.4318 -24.6274
23 C8y C 22.4020 -27.6069
24 N5x N 21.8725 -20.0033
25 C8y C 22.3076 -18.6746
26 S2x S 21.1735 -17.8499
27 C8x C 20.0396 -18.6746
28 C8y C 20.4746 -20.0033
29 C8y C 24.7247 -20.0738
30 C8x C 23.5838 -20.8985
31 S2x S 24.0188 -22.2342
32 N5x N 25.8588 -20.8985
33 C8y C 24.7267 -18.6759
34 N5x N 25.9394 -17.9805
35 C8y C 25.9415 -16.5827
36 C8x C 24.7318 -15.8820
37 C8x C 23.5203 -16.5793
38 C8y C 23.5183 -17.9772
39 C5a C 20.1005 -21.3518
40 N1b N 18.8861 -22.0436
41 C1c C 18.1802 -23.2509
42 C1c C 16.7823 -23.2431
43 O1a O 16.0765 -24.4498
44 C1a C 16.0901 -22.0287
45 C5a C 18.8723 -24.4654
46 N1b N 18.1659 -25.6725
47 C2c C 18.8579 -26.8871
48 C2b C 18.1519 -28.0937
49 C1a C 16.7540 -28.0856
50 O5a O 20.2702 -24.4732
51 O5a O 21.2032 -22.2107
52 C8y C 20.2558 -26.8952
53 N5x N 21.0720 -28.0319
54 C8x C 22.4120 -26.2097
55 S2x S 21.0851 -25.7700
56 C5a C 23.3905 -28.5954
57 N1b N 24.3789 -27.5999
58 C1c C 25.3672 -28.5883
59 N1b N 26.9840 -24.2746
60 O5a O 23.3929 -29.9933
61 O1a O 27.8352 -20.8294
62 C8y C 27.1531 -15.8856
63 S2x S 28.4282 -16.4485
64 C8x C 29.3650 -15.4108
65 C8y C 28.6678 -14.1993
66 N5x N 27.3001 -14.4880
67 C8y C 29.0245 -12.8373
68 N5x N 30.2659 -12.3251
69 C8x C 28.8921 -10.5631
70 S2x S 28.1320 -11.7481
71 O5a O 31.4615 -8.8225
72 C2b C 33.8761 -8.8225
73 C1a C 32.6654 -8.1236
74 O5a O 35.0834 -12.3173
75 O1a O 38.7052 -8.8225
76 O5a O 29.6856 -24.0093
BOND 83
1 21 17 2
2 41 40 1 #Down
3 5 6 1
4 41 42 1
5 20 22 1
6 42 43 1 #Down
7 1 2 1
8 42 44 1
9 6 7 1
10 41 45 1
11 13 14 1
12 45 46 1
13 3 4 1
14 46 47 1
15 14 15 1
16 47 48 2
17 7 8 1
18 48 49 1
19 24 25 2
20 45 50 2
21 25 26 1
22 39 51 2
23 26 27 1
24 47 52 1
25 27 28 2
26 28 24 1
27 15 16 1
28 52 53 2
29 53 23 1
30 23 54 2
31 54 55 1
32 55 52 1
33 23 56 1
34 56 57 1
35 8 9 1
36 58 57 1 #Up
37 58 17 1
38 29 30 2
39 14 59 1 #Down
40 59 22 1
41 58 10 1
42 31 13 1
43 56 60 2
44 32 29 1
45 15 61 1 #Down
46 4 5 1
47 35 62 1
48 29 33 1
49 12 10 1
50 2 3 1
51 10 11 1
52 62 63 1
53 63 64 1
54 64 65 2
55 65 66 1
56 66 62 2
57 17 18 1
58 65 67 1
59 18 19 1
60 33 34 2
61 34 35 1
62 67 68 2
63 68 1 1
64 1 69 2
65 69 70 1
66 70 67 1
67 35 36 2
68 2 71 2
69 36 37 1
70 4 72 2
71 37 38 2
72 72 73 1
73 38 33 1
74 5 74 2
75 38 25 1
76 8 75 1 #Up
77 32 13 2
78 30 31 1
79 19 20 2
80 22 76 2
81 28 39 1
82 20 21 1
83 39 40 1
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