ATOM 44
1 N1y N 23.6503 -18.2639
2 C1x C 22.4581 -18.9649
3 C1x C 21.2700 -18.2786
4 C1y C 21.2574 -16.8962
5 C1x C 22.4527 -16.2058
6 C1x C 23.6608 -16.8905
7 N1y N 20.0628 -16.2158
8 C1x C 18.8761 -16.9094
9 C1x C 17.6829 -16.2320
10 C1x C 17.6745 -14.8523
11 C1x C 18.8600 -14.1503
12 C1x C 20.0613 -14.8348
13 C8y C 35.6712 -19.7181
14 C8x C 34.0372 -21.9931
15 C8y C 36.2478 -20.9900
16 O5x O 36.5204 -18.5288
17 C8y C 35.4326 -22.1254
18 C1b C 37.6480 -20.9675
19 C1d C 36.0093 -23.4051
20 C6a C 37.3961 -23.3698
21 C1b C 34.5576 -23.2444
22 O1a O 36.6162 -24.7295
23 O6a O 38.0109 -24.7502
24 C1a C 33.6883 -24.4245
25 C8y C 33.4606 -20.7136
26 N4y N 34.2754 -19.5735
27 C1x C 33.4427 -18.4462
28 C8y C 32.1234 -20.2939
29 C8y C 32.1142 -18.8911
30 C8y C 30.9036 -18.2119
31 N5x N 30.9223 -20.9964
32 C8y C 29.7116 -20.3172
33 C8y C 29.6954 -18.9257
34 C8x C 28.4885 -18.2343
35 C8y C 27.2977 -18.9416
36 C8x C 27.3068 -20.3329
37 C8x C 28.5068 -21.0172
38 O7a O 26.0787 -18.2463
39 C1b C 30.8909 -16.8110
40 C1a C 29.6705 -16.1251
41 C7a C 24.8695 -18.9592
42 O6a O 24.8796 -20.3600
43 O1a O 38.3253 -19.7423
44 O6a O 38.1978 -22.2226 #-
BOND 49
1 3 4 1
2 4 5 1
3 5 6 1
4 4 7 1
5 7 8 1
6 7 12 1
7 8 9 1
8 9 10 1
9 25 14 2
10 25 26 1
11 26 27 1
12 27 29 1
13 28 25 1
14 13 15 1
15 13 16 2
16 14 17 1
17 15 18 1
18 28 29 2
19 29 30 1
20 30 33 2
21 32 31 2
22 31 28 1
23 17 19 1
24 19 20 1
25 19 21 1 #Down
26 19 22 1 #Up
27 20 23 2
28 32 33 1
29 33 34 1
30 34 35 2
31 35 36 1
32 36 37 2
33 37 32 1
34 21 24 1
35 15 17 2
36 26 13 1
37 35 38 1
38 10 11 1
39 30 39 1
40 11 12 1
41 39 40 1
42 38 41 1
43 41 1 1
44 1 2 1
45 41 42 2
46 1 6 1
47 18 43 1
48 2 3 1
49 20 44 1
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