ATOM 22
1 C1z C 24.5534 -16.4964
2 C8y C 24.5477 -15.1901
3 C1y C 25.6808 -17.1654
4 C1y C 23.4098 -17.1477
5 C1x C 25.6808 -15.8285
6 C8y C 23.4098 -14.5401
7 C8y C 25.6866 -14.5401
8 C1y C 26.8185 -16.5081
9 C2x C 25.6749 -18.4713
10 O2x O 22.1025 -15.7539
11 C1y C 23.4039 -18.4538
12 C1x C 27.9516 -15.8519
13 C8y C 23.4098 -13.2151
14 C1x C 26.8243 -15.1961
15 C8x C 25.6866 -13.2151
16 N2y N 27.9633 -17.1771 #+
17 C2x C 24.5370 -19.1158
18 O1a O 22.2604 -19.1099
19 C8x C 24.5534 -12.5591
20 O1a O 22.2650 -12.5591
21 O3a O 28.6380 -18.3373 #-
22 C1a C 29.1177 -16.4871
BOND 26
1 1 3 1
2 1 4 1
3 1 5 1 #Up
4 2 6 2
5 2 7 1
6 3 8 1
7 3 9 1
8 4 10 1 #Down
9 4 11 1
10 5 12 1
11 6 13 1
12 7 14 1
13 7 15 2
14 8 16 1 #Up
15 9 17 2
16 11 18 1 #Down
17 13 19 2
18 13 20 1
19 6 10 1
20 8 14 1
21 11 17 1
22 12 16 1
23 15 19 1
24 16 21 1
25 1 2 1
26 16 22 1
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