ATOM 58
1 S2a S 17.4273 -23.4500
2 C1b C 18.6397 -22.7500
3 C1b C 19.8522 -23.4500
4 N1b N 21.0646 -22.7500
5 C5a C 22.2770 -23.4500
6 C1b C 23.4895 -22.7500
7 C1b C 24.7019 -23.4500
8 N1b N 25.9144 -22.7500
9 C5a C 27.1268 -23.4500
10 C1c C 28.3392 -22.7500
11 C1d C 29.5517 -23.4500
12 C1b C 30.7641 -22.7500
13 O2b O 31.9765 -23.4500
14 O5a O 22.2770 -24.8499
15 O5a O 27.1268 -24.8496
16 O1a O 28.3392 -21.3500
17 C1a C 29.5517 -22.0500
18 C1a C 29.5517 -24.8500
19 P1b P 33.3765 -23.4500
20 O1c O 34.7765 -23.4500
21 O1c O 33.3765 -24.8500
22 C1y C 26.8800 -18.4800
23 C1y C 28.2800 -18.4800
24 C1y C 28.7126 -17.1485
25 O2x O 27.5800 -16.3256
26 C1y C 26.4474 -17.1485
27 C1b C 30.0322 -16.7197
28 O1a O 26.0571 -19.6126
29 O2b O 29.1029 -19.6126
30 P1b P 30.5029 -19.6126
31 O1c O 30.5029 -18.2126
32 O1c O 31.9029 -19.6126
33 O1c O 30.5029 -21.0126
34 C8y C 22.3300 -15.3300
35 C8y C 22.3300 -16.7300
36 N4y N 24.7549 -16.7300
37 C8x C 24.7549 -15.3300
38 N5x N 23.5424 -14.6300
39 C8y C 21.1176 -14.6300
40 N5x N 19.9051 -15.3300
41 C8x C 19.9051 -16.7300
42 N5x N 21.1176 -17.4300
43 N1a N 21.1176 -13.2302
44 O2b O 32.0145 -17.1520
45 P1b P 33.4145 -17.1520
46 O1c O 33.4145 -15.7520
47 O1c O 34.8145 -17.1520
48 O2c O 33.4145 -20.3720
49 C5a C 16.2169 -22.7512
50 C8y C 16.2169 -21.3512
51 O5a O 15.0224 -23.4410
52 C8x C 17.4471 -20.6408
53 C8x C 17.4469 -19.2408
54 C8y C 16.2344 -18.5409
55 C8x C 15.0042 -19.2513
56 C8y C 15.0044 -20.6513
57 X Cl 16.2343 -17.1500
58 X Cl 13.7745 -21.3618
BOND 61
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 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 49 50 1
53 49 51 2
54 50 52 1
55 52 53 2
56 53 54 1
57 54 55 2
58 55 56 1
59 50 56 2
60 54 57 1
61 56 58 1
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