ATOM 23
1 C8y C 34.4775 -22.3077
2 C8x C 33.3177 -21.5611
3 C8x C 33.3739 -20.1635
4 C8y C 34.5900 -19.5126
5 C8x C 35.8198 -20.2620
6 C8x C 35.7635 -21.6596
7 C8y C 30.0715 -26.8536
8 C8y C 30.0715 -25.4549
9 C8x C 31.2604 -24.7555
10 C8y C 32.4494 -25.4549
11 C8y C 32.4494 -26.8536
12 C8x C 31.2604 -27.5530
13 C1y C 33.7082 -24.7555
14 N2y N 34.8972 -25.4549 #+
15 C1x C 34.8972 -26.8536
16 C1x C 33.7082 -27.5530
17 O2a O 28.8127 -27.5530
18 C1a C 27.6237 -26.8536
19 O1a O 28.8127 -24.7555
20 C1b C 33.7082 -23.2868
21 O1a O 34.6464 -18.1149
22 C1a C 36.2959 -25.4549
23 C1a C 35.5965 -24.1960
BOND 25
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 7 8 2
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 2
12 7 12 1
13 10 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 11 16 1
18 7 17 1
19 17 18 1
20 8 19 1
21 13 20 1 #Up
22 1 20 1
23 4 21 1
24 14 22 1
25 14 23 1
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