ATOM 45
1 C1z C 22.9673 -18.4115
2 C1y C 22.9673 -19.7262
3 C1y C 22.9498 -17.1084
4 C1y C 23.9081 -17.6576
5 C1y C 21.8455 -17.7569
6 C1z C 21.8455 -20.3748
7 C1y C 23.9491 -20.5033
8 C1y C 25.1762 -20.2054
9 N1y N 21.3605 -19.1476
10 C1y C 25.1119 -17.9264
11 C1x C 23.7971 -16.4306
12 C1x C 20.7001 -18.4115
13 O2a O 21.8455 -16.4540
14 C1x C 21.3720 -21.5026
15 C1y C 20.7001 -19.7262
16 C1b C 22.4239 -21.5026
17 O2a O 23.6685 -21.7773
18 C2y C 25.7020 -19.0133
19 C1b C 20.2326 -18.4991
20 C1y C 25.7430 -16.8747
21 C1z C 24.9308 -15.9456
22 C1a C 20.7061 -15.7995
23 O1a O 19.5665 -20.3689
24 O2a O 22.4122 -22.6015
25 C1a C 24.9885 -22.6596
26 C2x C 27.2213 -18.3063
27 C1a C 19.1049 -19.1476
28 O7a O 27.9634 -15.7702
29 C1y C 26.1636 -15.9397
30 O1a O 24.7853 -14.7360
31 C1a C 21.1154 -23.5183
32 C7a C 29.0386 -16.3780
33 O2a O 26.9350 -14.7478
34 C8y C 30.0962 -15.7702
35 O6a O 29.0386 -17.6051
36 C1a C 26.4266 -13.5500
37 C8x C 30.0962 -14.5432
38 C8x C 31.1539 -16.3780
39 C8y C 31.1539 -13.9296
40 C8x C 32.2232 -15.7702
41 C8y C 32.2174 -14.5432
42 O2a O 31.1539 -12.7083
43 O2a O 33.2633 -13.9296
44 C1a C 32.4857 -11.8965
45 C1a C 34.6709 -14.5372
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 2
26 19 27 1
27 20 28 1 #Down
28 21 29 1
29 21 30 1 #Up
30 24 31 1
31 28 32 1
32 29 33 1 #Up
33 32 34 1
34 32 35 2
35 33 36 1
36 34 37 1
37 34 38 2
38 37 39 2
39 38 40 1
40 39 41 1
41 39 42 1
42 41 43 1
43 42 44 1
44 43 45 1
45 7 8 1
46 9 14 1
47 10 18 1
48 12 15 1
49 20 21 1
50 26 29 1
51 40 41 2
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