ATOM 39
1 C1y C 11.5500 -15.6100
2 C1y C 11.5500 -17.0100
3 C1y C 12.7400 -17.6400
4 C1y C 14.0000 -17.0100
5 C2x C 14.0000 -15.6100
6 C2y C 12.7400 -14.9100
7 C1b C 12.7400 -13.5100
8 O1a O 13.9300 -12.8100
9 O1a O 10.3600 -17.6400
10 O1a O 12.7400 -19.1100
11 O1a O 10.3600 -14.9100
12 O2b O 15.1900 -17.6400
13 P1b P 16.5900 -17.6400
14 O1c O 16.5900 -19.1100
15 O1c O 16.5900 -16.3100
16 O2c O 17.9900 -17.6400
17 P1b P 19.4600 -17.6400
18 O2b O 20.8600 -17.6400
19 O1c O 19.4600 -19.1100
20 O1c O 19.4600 -16.3100
21 C1b C 21.9100 -16.7300
22 N4y N 25.4100 -14.4900
23 C8y C 24.0800 -14.0700
24 C1y C 25.3400 -17.1500
25 C8x C 26.1100 -13.3700
26 C8y C 24.0800 -12.6700
27 N5x N 22.9600 -14.7700
28 O2x O 24.2200 -16.3100
29 C1y C 24.9900 -18.3400
30 N5x N 25.4100 -12.3200
31 C8y C 22.9600 -12.1100
32 C8y C 21.7700 -14.0700
33 C1y C 23.1700 -17.1500
34 C1y C 23.5900 -18.3400
35 O1a O 25.7600 -19.4600
36 N4x N 21.7700 -12.6700
37 O5x O 22.9600 -10.7100
38 O1a O 22.8900 -19.4600
39 N1a N 20.5800 -14.7700
BOND 42
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 7 8 1
9 2 9 1 #Up
10 3 10 1 #Down
11 1 11 1 #Down
12 4 12 1 #Down
13 12 13 1
14 13 14 1
15 13 15 2
16 13 16 1
17 16 17 1
18 17 18 1
19 17 19 1
20 17 20 2
21 18 21 1
22 22 23 1
23 24 22 1 #Up
24 22 25 1
25 23 26 2
26 23 27 1
27 24 28 1
28 24 29 1
29 25 30 2
30 26 31 1
31 27 32 2
32 28 33 1
33 29 34 1
34 29 35 1 #Down
35 31 36 1
36 31 37 2
37 33 21 1 #Up
38 34 38 1 #Down
39 26 30 1
40 32 36 1
41 33 34 1
42 32 39 1
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