ATOM 43
1 C8y C 27.2469 -15.3886
2 C1y C 28.6436 -15.3886
3 N1y N 29.3419 -14.1792
4 C1x C 28.6436 -12.9695
5 C1x C 27.2469 -12.9695
6 C8y C 26.5486 -14.1792
7 C1x C 29.3419 -16.5981
8 C1y C 30.7386 -16.5981
9 C1y C 31.4370 -15.3886
10 C1x C 30.7386 -14.1792
11 C1y C 31.4370 -17.8078
12 C1y C 32.8336 -17.8078
13 C1y C 33.5319 -16.5981
14 C1x C 32.8336 -15.3886
15 C8y C 25.0428 -14.4694
16 C8y C 25.0364 -15.8585
17 N4x N 26.3123 -16.4266
18 C8x C 23.8365 -13.7656
19 C8x C 22.6237 -14.4585
20 C8y C 22.6174 -15.8474
21 C8x C 23.8238 -16.5513
22 O2a O 21.4077 -16.5387
23 C1a C 20.1670 -15.8153
24 C7a C 30.7276 -19.0359
25 O7a O 34.9284 -16.5981
26 O2a O 33.5429 -19.0359
27 O6a O 29.3420 -19.0356
28 O7a O 31.4216 -20.2383
29 C1a C 30.7402 -21.4176
30 C1a C 34.9395 -19.0359
31 C7a C 35.6365 -15.3719
32 C2b C 37.0235 -15.3721
33 O6a O 34.9431 -14.1709
34 C2b C 37.7288 -16.5940
35 C8y C 39.1255 -16.5942
36 C8x C 39.8229 -17.8025
37 C8y C 41.2226 -17.8026
38 C8y C 41.9225 -16.5905
39 C8x C 41.2253 -15.3824
40 C8x C 39.8256 -15.3822
41 O1a O 43.3222 -16.5907
42 O2a O 41.9125 -18.9977
43 C1a C 43.3244 -18.9980
BOND 48
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 2 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 3 10 1
12 8 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 9 14 1
17 6 15 1
18 15 16 1
19 16 17 1
20 1 17 1
21 15 18 2
22 18 19 1
23 19 20 2
24 20 21 1
25 16 21 2
26 20 22 1
27 22 23 1
28 11 24 1 #Up
29 13 25 1 #Up
30 12 26 1 #Down
31 24 27 2
32 24 28 1
33 28 29 1
34 26 30 1
35 25 31 1
36 31 32 1
37 31 33 2
38 32 34 2
39 34 35 1
40 35 36 2
41 36 37 1
42 37 38 2
43 38 39 1
44 39 40 2
45 35 40 1
46 38 41 1
47 37 42 1
48 42 43 1
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