ATOM 38
1 C1y C 28.0000 -19.1100
2 C1y C 28.0000 -20.5100
3 C1x C 29.1900 -21.2100
4 C1y C 30.4500 -20.5100
5 C1z C 30.4500 -19.1100
6 C1x C 29.1900 -18.4100
7 C1x C 31.6400 -21.2100
8 C1x C 32.8300 -20.5100
9 C1y C 32.8300 -19.1100
10 C1y C 31.6400 -18.4100
11 C1y C 34.0900 -18.4100
12 C1z C 34.0900 -17.0100
13 C1x C 32.8300 -16.3100
14 C1x C 31.6400 -17.0100
15 C1x C 36.4700 -18.4100
16 C1y C 36.4700 -17.0100
17 C1y C 35.2800 -16.3100
18 O1a O 26.8100 -21.2100
19 N1y N 26.8100 -18.4100
20 C1a C 30.4500 -17.7100
21 C1a C 34.0900 -15.6100
22 N2y N 37.6600 -16.3100 #+
23 O7a O 35.2800 -14.5600
24 C1x C 37.6600 -14.9100
25 C7a C 34.0900 -13.8600
26 C1a C 32.9000 -14.5600
27 O6a O 34.0900 -12.4600
28 C1x C 38.9900 -16.7300
29 C1x C 39.8300 -15.6100
30 C1x C 38.9900 -14.4900
31 C1b C 37.6600 -17.7100
32 C2b C 38.8500 -18.4100
33 C2a C 38.8500 -19.8100
34 C1x C 26.8100 -17.0100
35 C1x C 25.5500 -16.3100
36 O2x O 24.3600 -17.0100
37 C1x C 24.3600 -18.4100
38 C1x C 25.5500 -19.1100
BOND 43
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 1 #Down
22 1 19 1 #Up
23 5 20 1 #Up
24 12 21 1 #Up
25 16 22 1 #Up
26 17 23 1 #Up
27 22 24 1
28 23 25 1
29 25 26 1
30 25 27 2
31 22 28 1
32 28 29 1
33 29 30 1
34 24 30 1
35 22 31 1
36 31 32 1
37 32 33 2
38 19 34 1
39 34 35 1
40 35 36 1
41 36 37 1
42 37 38 1
43 19 38 1
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