ATOM 43
1 C8y C 26.6923 -14.2103
2 C8y C 27.8413 -14.8751
3 C1y C 25.5318 -14.8693
4 C8y C 26.6982 -12.8923
5 O2x O 27.8357 -16.9626
6 C8y C 28.9901 -14.2103
7 C1x C 25.5201 -16.1873
8 N1y N 24.4063 -14.1986
9 C8x C 27.8413 -12.2216
10 C1x C 25.5610 -12.2158
11 C8y C 29.0138 -18.3331
12 C8y C 28.9901 -12.8923
13 O1a O 30.1330 -14.6651
14 C8y C 24.5031 -16.6660
15 C1x C 24.4355 -12.8923
16 C1a C 23.2634 -14.8460
17 C8y C 30.1217 -17.6100
18 C8x C 29.0079 -19.6511
19 O2a O 30.1330 -12.2216
20 C8x C 24.4949 -17.9891
21 C8x C 23.3483 -16.0112
22 C8x C 31.3056 -18.2166
23 O2a O 30.1276 -16.3504
24 C8y C 30.2618 -20.2461
25 C1a C 31.2702 -12.8806
26 C8x C 23.3580 -18.6559
27 C8x C 22.2035 -16.6760
28 C8y C 31.2999 -19.5287
29 C1a C 31.5157 -15.5748
30 C1y C 30.2618 -21.5698
31 C8y C 22.2134 -17.9954
32 C1x C 32.5478 -20.1177
33 C1x C 29.1478 -20.9688
34 N1x N 31.5040 -22.1646
35 O2x O 20.7319 -18.9060
36 C1x C 32.5302 -21.4299
37 C8y C 26.8108 -21.0103
38 C8y C 24.5238 -20.9077
39 C8x C 25.6918 -20.2918
40 C8x C 26.8287 -22.3285
41 C8y C 24.4685 -22.2307
42 C8x C 25.5858 -22.9411
43 O1a O 23.2410 -22.8723
BOND 49
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 8 16 1
16 11 17 1
17 11 18 2
18 12 19 1
19 14 20 2
20 14 21 1
21 17 22 2
22 17 23 1
23 18 24 1
24 19 25 1
25 20 26 1
26 21 27 2
27 22 28 1
28 23 29 1
29 24 30 1
30 26 31 2
31 28 32 1
32 30 33 1
33 30 34 1
34 31 35 1
35 32 36 1
36 33 37 1
37 35 38 1
38 37 39 2
39 37 40 1
40 38 41 2
41 40 42 2
42 9 12 2
43 10 15 1
44 24 28 2
45 27 31 1
46 34 36 1
47 38 39 1
48 41 42 1
49 41 43 1
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