ATOM 43
1 C1y C 20.9300 -16.2400
2 C1y C 23.5900 -13.3000
3 C1y C 23.5900 -14.7000
4 C1y C 24.7800 -15.4000
5 C1y C 26.0400 -14.7000
6 C1y C 26.0400 -13.3000
7 O2x O 24.7800 -12.6000
8 O2a O 27.3000 -11.6900
9 C1y C 31.2200 -12.8800
10 C1y C 31.2200 -11.4800
11 C1y C 29.8900 -11.0600
12 C1y C 29.0500 -12.1800
13 C1y C 29.8900 -13.3000
14 N2x N 32.5500 -13.3000
15 C2y C 33.3900 -12.1800
16 O2x O 32.5500 -11.0600
17 N1c N 34.7900 -12.1800
18 C1a C 35.4900 -10.9900
19 C1a C 35.4900 -13.3700
20 O1a O 29.4700 -14.6300
21 N1b N 27.2524 -15.4000
22 C5a C 27.2524 -16.8000
23 O5a O 26.0400 -17.5000
24 C1a C 28.4649 -17.5000
25 O2a O 22.3776 -15.4000
26 O1a O 24.7800 -16.8000
27 C1b C 22.3776 -12.6000
28 O1a O 22.3776 -11.2000
29 O2x O 19.7160 -15.5427
30 C1y C 18.5051 -16.2453
31 C1y C 18.5082 -17.6453
32 C1y C 19.7222 -18.3427
33 C1y C 20.9331 -17.6400
34 N1b N 22.1447 -18.3360
35 C5a C 22.1447 -19.7360
36 O5a O 20.9323 -20.4360
37 C1a C 23.3572 -20.4360
38 O1a O 19.7222 -19.7427
39 O1a O 17.2958 -18.3453
40 C1b C 17.2927 -15.5453
41 O1a O 17.2927 -14.1453
42 C1b C 28.9001 -10.0701
43 O1a O 28.9001 -8.6701
BOND 46
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 1
6 2 7 1
7 6 8 1 #Up
8 9 10 1
9 10 11 1
10 11 12 1
11 12 13 1
12 9 13 1
13 9 14 1
14 14 15 2
15 15 16 1
16 10 16 1
17 15 17 1
18 17 18 1
19 17 19 1
20 13 20 1 #Up
21 12 8 1 #Down
22 5 21 1 #Down
23 21 22 1
24 22 23 2
25 22 24 1
26 3 25 1 #Down
27 4 26 1 #Down
28 2 27 1 #Up
29 27 28 1
30 1 25 1 #Up
31 1 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 1 33 1
37 33 34 1 #Down
38 34 35 1
39 35 36 2
40 35 37 1
41 32 38 1 #Down
42 31 39 1 #Down
43 30 40 1 #Up
44 40 41 1
45 11 42 1 #Up
46 42 43 1
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