ATOM 27
1 C8y C 16.2400 -16.3800
2 C8y C 16.2400 -17.7100
3 C8x C 13.9300 -16.4500
4 C8x C 13.9300 -17.7800
5 C8x C 15.1200 -18.4100
6 C8x C 15.0500 -15.7500
7 C1z C 19.6000 -16.8700
8 C1y C 20.0900 -15.6800
9 C1x C 19.3200 -14.6300
10 C1y C 17.9900 -14.7700
11 N1y N 17.0100 -13.8600
12 C1x C 15.8900 -14.5600
13 C1x C 16.1700 -15.8200
14 C1x C 17.8500 -12.8100
15 C2y C 20.8600 -14.5600
16 C7a C 21.0000 -17.7800
17 O7a O 22.2600 -17.7800
18 O6a O 20.4400 -19.0400
19 C1a C 23.2400 -19.1100
20 C2y C 18.2700 -17.0800
21 C1z C 17.5000 -15.9600
22 N2x N 17.5000 -18.1300
23 C2b C 22.1200 -15.3300
24 C1a C 22.1200 -16.7300
25 C1c C 18.9700 -17.7100
26 O1a O 19.4600 -19.1324
27 O1a O 18.2700 -18.9224
BOND 31
1 10 11 1
2 11 12 1
3 12 13 1
4 21 13 1 #Up
5 11 14 1
6 1 2 2
7 8 15 1
8 14 15 1
9 3 4 1
10 7 16 1 #Down
11 20 7 1
12 16 17 1
13 7 8 1
14 16 18 2
15 8 9 1
16 17 19 1
17 9 10 1
18 4 5 2
19 5 2 1
20 20 21 1
21 21 1 1
22 2 22 1
23 22 20 2
24 1 6 1
25 15 23 2
26 6 3 2
27 23 24 1
28 21 10 1
29 7 25 1
30 25 26 1
31 25 27 1
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