ATOM 57
1 C1b C 11.1524 -20.5800
2 C5a C 12.3649 -19.8800
3 S2a S 13.5773 -20.5800
4 C1b C 14.7897 -19.8800
5 C1b C 16.0022 -20.5800
6 N1b N 17.2146 -19.8800
7 C5a C 18.4270 -20.5800
8 C1b C 19.6395 -19.8800
9 C1b C 20.8519 -20.5800
10 N1b N 22.0644 -19.8800
11 C5a C 23.2768 -20.5800
12 C1c C 24.4892 -19.8800
13 C1d C 25.7017 -20.5800
14 C1b C 26.9141 -19.8800
15 O2b O 28.1265 -20.5800
16 O5a O 12.3649 -18.4802
17 O5a O 18.4270 -21.9799
18 O5a O 23.2768 -21.9796
19 O1a O 24.4892 -18.4800
20 C1a C 25.7017 -19.1800
21 C1a C 25.7017 -21.9800
22 P1b P 29.5265 -20.5800
23 O1c O 30.9265 -20.5800
24 O1c O 29.5265 -21.9800
25 C1y C 23.0300 -15.6100
26 C1y C 24.4300 -15.6100
27 C1y C 24.8626 -14.2785
28 O2x O 23.7300 -13.4556
29 C1y C 22.5974 -14.2785
30 C1b C 26.1822 -13.8497
31 O1a O 22.2071 -16.7426
32 O2b O 25.2529 -16.7426
33 P1b P 26.6529 -16.7426
34 O1c O 26.6529 -15.3426
35 O1c O 28.0529 -16.7426
36 O1c O 26.6529 -18.1426
37 C8y C 18.4800 -12.4600
38 C8y C 18.4800 -13.8600
39 N4y N 20.9049 -13.8600
40 C8x C 20.9049 -12.4600
41 N5x N 19.6924 -11.7600
42 C8y C 17.2676 -11.7600
43 N5x N 16.0551 -12.4600
44 C8x C 16.0551 -13.8600
45 N5x N 17.2676 -14.5600
46 N1a N 17.2676 -10.3602
47 O2b O 28.1645 -14.2820
48 P1b P 29.5645 -14.2820
49 O1c O 29.5645 -12.8820
50 O1c O 30.9645 -14.2820
51 O2c O 29.5645 -17.5020
52 C1b C 9.9233 -19.8702
53 C1b C 8.7192 -20.5653
54 N1d N 7.5363 -19.8822 #+
55 C1a C 6.3426 -20.5714
56 C1a C 7.5363 -18.4802
57 C1a C 6.3239 -19.1822
BOND 59
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 54 56 1
59 54 57 1
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