ATOM 22
1 C8x C 23.4470 -15.8210
2 C8x C 23.4470 -13.0952
3 C8y C 24.6184 -13.7802
4 C8y C 24.6125 -15.1430
5 C1y C 25.7921 -15.8262
6 N1y N 26.9777 -15.1534
7 C8y C 22.2614 -15.1430
8 C8y C 22.2657 -13.7775
9 O2x O 20.9625 -13.3474
10 C1x C 20.1570 -14.4504
11 O2x O 20.9630 -15.5581
12 C1z C 25.8041 -13.1004
13 C1y C 26.9778 -13.7936
14 C1x C 28.1630 -13.1203
15 C1y C 28.1745 -11.7608
16 C2x C 27.0007 -11.0680
17 C2x C 25.8155 -11.7412
18 C1x C 26.9787 -12.4103
19 C1x C 28.1510 -14.4582
20 O2a O 29.3557 -11.0860
21 C1a C 30.5327 -11.7808
22 O1a O 25.7862 -17.1892
BOND 26
1 9 10 1
2 10 11 1
3 11 7 1
4 3 4 2
5 4 5 1
6 5 6 1
7 6 13 1
8 12 3 1
9 2 8 2
10 12 13 1
11 13 14 1
12 14 15 1
13 15 16 1
14 16 17 2
15 17 12 1
16 7 1 2
17 12 18 1 #Down
18 1 4 1
19 6 19 1 #Down
20 18 19 1
21 3 2 1
22 15 20 1 #Up
23 7 8 1
24 20 21 1
25 8 9 1
26 5 22 1 #Up
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