ATOM 37
1 O6a O 30.4500 -17.3600 #-
2 C6a C 31.6624 -18.0600
3 C1c C 32.8749 -17.3600
4 C1c C 34.0873 -18.0600
5 C6a C 35.2997 -17.3600
6 O6a O 36.5122 -18.0600
7 O1a O 34.0873 -19.4600
8 O1a O 32.8749 -15.9602
9 O6a O 35.2997 -15.9601
10 O6a O 31.6624 -19.4598
11 C8x C 15.5400 -18.2000
12 C8x C 15.5400 -19.6000
13 C8x C 16.7300 -20.3000
14 C8y C 17.9900 -19.6000
15 C8y C 17.9900 -18.2000
16 C8x C 16.7300 -17.5000
17 N1y N 19.3200 -20.0200
18 C1y C 20.0900 -18.9000
19 C1z C 19.3200 -17.7800
20 C1y C 21.4900 -18.7600
21 N2y N 22.0500 -17.5700 #+
22 C1y C 21.2800 -16.3100
23 C1x C 19.8800 -16.5200
24 C1x C 22.8200 -19.3200
25 C1y C 23.3800 -18.0600
26 C1y C 24.7100 -17.8500
27 C1y C 23.4500 -17.2200
28 C1b C 26.1100 -17.8500
29 C1y C 22.1900 -14.4900
30 O1a O 24.6400 -16.5200
31 C1y C 19.3200 -14.4900
32 C1a C 19.3200 -21.4200
33 O1a O 18.3400 -13.5100
34 C1a C 26.8100 -19.0400
35 C1b C 23.7541 -15.3792
36 C1b C 25.1198 -15.5686
37 C1a C 25.9975 -14.4412
BOND 41
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 4 7 1 #Down
7 3 8 1 #Down
8 5 9 2
9 2 10 2
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
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 #Up
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
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