ATOM 47
1 C8y C 27.2588 -15.3640
2 C8y C 28.4363 -16.0462
3 C8y C 27.2646 -14.0058
4 C1y C 26.0812 -16.0403
5 C8y C 29.6197 -15.3640
6 O2x O 27.0664 -19.3457
7 C8y C 28.4363 -13.3237
8 C1x C 26.0928 -13.3179
9 C1x C 26.0754 -17.3986
10 N1y N 24.9037 -15.3524
11 C8y C 29.6197 -14.0058
12 O2a O 30.7974 -16.0462
13 C8y C 28.3489 -19.9636
14 O2a O 28.4306 -11.9771
15 C1x C 24.9327 -14.0058
16 C8y C 24.8977 -18.0690
17 C1a C 23.7260 -16.0112
18 O2a O 30.7974 -13.3237
19 C1a C 31.9575 -15.3640
20 C8x C 28.3489 -21.3277
21 C8y C 29.4216 -19.2174
22 C1a C 29.5966 -11.3115
23 C8x C 24.8977 -19.4331
24 C8x C 23.7260 -17.3811
25 C1a C 31.9691 -13.9941
26 C8y C 29.6316 -21.9399
27 C8x C 30.7100 -19.8469
28 O2a O 29.4216 -17.8592
29 C8y C 23.7143 -20.1152
30 C8x C 22.5426 -18.0573
31 C8y C 30.6983 -21.1994
32 C2y C 29.6314 -23.2981
33 C1a C 30.4943 -17.1246
34 C8y C 22.5368 -19.4273
35 O2x O 23.7086 -21.4735
36 C1x C 31.9808 -21.7999
37 C1x C 28.4889 -24.0443
38 N2x N 30.8498 -23.9044
39 O2a O 21.3651 -20.0977
40 C8y C 24.8977 -22.1206
41 C1x C 31.9691 -23.1583
42 C8y C 27.2821 -23.4264
43 C1a C 21.3651 -21.4501
44 C8x C 26.0637 -21.4151
45 C8x C 24.9270 -23.4847
46 C8x C 27.3288 -22.0623
47 C8x C 26.1221 -24.1317
BOND 53
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1 #Down
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 9 16 1
16 10 17 1
17 11 18 1
18 12 19 1
19 13 20 2
20 13 21 1
21 14 22 1
22 16 23 1
23 16 24 2
24 18 25 1
25 20 26 1
26 21 27 2
27 21 28 1
28 23 29 2
29 24 30 1
30 26 31 2
31 26 32 1
32 28 33 1
33 29 34 1
34 29 35 1
35 31 36 1
36 32 37 1
37 32 38 2
38 34 39 1
39 35 40 1
40 36 41 1
41 37 42 1
42 39 43 1
43 40 44 2
44 40 45 1
45 42 46 2
46 42 47 1
47 7 11 2
48 10 15 1
49 27 31 1
50 30 34 2
51 38 41 1
52 44 46 1
53 45 47 2
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