ATOM 44
1 O6a O 31.1500 -17.4300 #-
2 C6a C 32.3624 -16.7300
3 C1c C 33.5749 -17.4300
4 C1c C 34.7873 -16.7300
5 C6a C 35.9997 -17.4300
6 O6a O 37.2122 -16.7300
7 O6a O 32.3624 -15.3302
8 O6a O 35.9997 -18.8299
9 O1a O 33.5749 -18.8298
10 O1a O 34.7873 -15.3300
11 C8x C 15.1900 -19.1100
12 C8x C 15.1900 -20.5100
13 C8x C 16.3800 -21.2100
14 C8y C 17.6400 -20.5100
15 C8y C 17.6400 -19.1100
16 C8x C 16.3800 -18.4100
17 N1y N 18.9700 -20.9300
18 C1y C 19.7400 -19.8100
19 C1z C 18.9700 -18.6900
20 C1y C 21.1400 -19.6700
21 N2y N 21.7000 -18.4100 #+
22 C1y C 20.9300 -17.2200
23 C1x C 19.5300 -17.4300
24 C1x C 22.4700 -20.2300
25 C1y C 23.0300 -18.9700
26 C1y C 24.3600 -18.7600
27 C1y C 23.1000 -18.1300
28 C1b C 25.7600 -18.7600
29 C1y C 21.7000 -15.4000
30 O1a O 24.2900 -17.4300
31 C1y C 18.9700 -15.4000
32 C1a C 18.9700 -22.3300
33 O1a O 17.9900 -14.4200
34 C1a C 26.4600 -19.9500
35 C1b C 23.1799 -17.0001
36 C1c C 23.1997 -15.6103
37 C1b C 24.3992 -14.9399
38 O1a O 21.9754 -14.6000
39 N1c N 25.6106 -15.6625
40 C1b C 26.8324 -14.9800
41 C1b C 25.5903 -17.0797
42 C1a C 26.7138 -17.9538
43 C1a C 28.0181 -15.6874
44 O0 O 34.2300 -21.9100
BOND 47
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 2 7 2
7 5 8 2
8 3 9 1 #Up
9 4 10 1 #Up
10 11 12 2
11 12 13 1
12 13 14 2
13 14 15 1
14 15 16 2
15 11 16 1
16 14 17 1
17 17 18 1
18 18 19 1
19 15 19 1
20 18 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 19 23 1 #Down
25 20 24 1
26 24 25 1
27 25 26 1
28 26 27 1
29 21 27 1
30 26 28 1 #Up
31 22 29 1 #Up
32 25 29 1 #Up
33 27 30 1 #Down
34 19 31 1
35 31 29 1
36 17 32 1
37 31 33 1 #Down
38 28 34 1
39 21 35 1
40 35 36 1
41 36 37 1
42 36 38 1
43 37 39 1
44 39 40 1
45 39 41 1
46 41 42 1
47 40 43 1
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