ATOM 45
1 C1z C 23.9945 -17.5937
2 C1y C 23.9945 -18.8970
3 C1y C 23.9769 -16.2960
4 C1y C 24.9296 -16.8456
5 C1y C 22.8722 -16.9449
6 C1z C 22.8722 -19.5459
7 C1y C 24.9705 -19.6743
8 C1y C 26.1920 -19.3764
9 N1y N 22.3988 -18.3300
10 C1y C 26.1278 -17.1144
11 C1x C 24.8886 -15.6240
12 C1x C 21.7383 -17.5937
13 O2a O 22.8722 -15.6474
14 C1x C 22.4103 -20.6680
15 C1y C 21.7383 -18.8970
16 C1b C 23.3807 -20.6680
17 O2a O 24.6899 -20.9427
18 C1z C 26.7182 -18.1956
19 C1b C 21.2766 -17.6814
20 C1y C 26.7590 -16.0623
21 C1z C 25.9466 -15.1389
22 C1a C 21.7442 -14.9928
23 O1a O 20.6162 -19.5459
24 O2a O 23.3690 -21.9714
25 C1a C 26.0044 -21.9595
26 C1x C 28.2320 -17.4885
27 O7a O 27.8345 -18.8385
28 C1a C 20.1485 -18.3300
29 O7a O 28.9685 -14.9634
30 C1y C 27.1740 -15.1329
31 O1a O 26.2214 -13.9347
32 C1a C 22.0837 -22.7484
33 C7a C 27.8345 -20.1362
34 C7a C 30.0322 -15.5713
35 O2a O 27.9455 -13.8768
36 C1a C 28.9625 -20.7908
37 O6a O 26.7065 -20.7849
38 C8y C 31.0901 -14.9634
39 O6a O 30.0322 -16.7929
40 C1a C 27.4370 -12.4744
41 C8x C 32.1422 -15.5713
42 C8x C 31.0901 -13.7419
43 C8x C 33.2059 -14.9634
44 C8x C 32.1422 -13.1283
45 C8x C 33.2000 -13.7419
BOND 51
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 8 3 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1 #Down
14 6 15 1
15 6 16 1 #Up
16 7 17 1 #Down
17 8 18 1
18 9 19 1
19 10 20 1
20 11 21 1
21 13 22 1
22 15 23 1 #Down
23 16 24 1
24 17 25 1
25 18 26 1
26 18 27 1 #Up
27 19 28 1
28 20 29 1 #Down
29 21 30 1
30 21 31 1 #Up
31 24 32 1
32 27 33 1
33 29 34 1
34 30 35 1 #Up
35 33 36 1
36 33 37 2
37 34 38 1
38 34 39 2
39 35 40 1
40 38 41 2
41 38 42 1
42 41 43 1
43 42 44 2
44 43 45 2
45 7 8 1
46 9 14 1
47 10 18 1
48 12 15 1
49 20 21 1
50 26 30 1
51 44 45 1
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