ATOM 27
1 C1d C 31.6603 -19.1976
2 C1a C 31.6567 -17.5036
3 C1y C 28.0558 -18.8610
4 C1z C 23.5908 -19.0367
5 C1y C 24.9554 -18.9029
6 C1y C 25.8498 -19.9778
7 C1y C 25.2471 -17.5625
8 C1y C 27.2201 -19.9577
9 O7x O 25.4358 -21.2932
10 C1x C 24.0577 -16.8701
11 C2y C 26.4850 -16.9438
12 C1y C 23.0387 -17.7817
13 C2y C 27.6691 -21.2532
14 C7x C 26.5598 -22.0820
15 C1x C 27.7363 -17.5169
16 O6a O 26.5099 -23.4519
17 C2a C 28.9727 -21.6535
18 O1a O 21.7054 -17.4968
19 O2x O 22.0656 -19.4796
20 C1x C 23.1780 -20.5746
21 C2a C 26.4634 -15.5796
22 O7a O 29.3192 -19.2359
23 C7a C 30.4213 -18.4755
24 O6a O 30.4562 -17.2306
25 O1a O 31.6557 -20.5327
26 C1b C 32.9318 -18.4226
27 X Cl 34.2680 -19.2673
BOND 30
1 8 3 1
2 9 14 1
3 11 15 1
4 14 16 2
5 10 12 1
6 13 14 1
7 3 15 1
8 4 20 1 #Down
9 13 17 2
10 1 2 1 #Down
11 12 18 1 #Up
12 4 19 1 #Up
13 19 20 1
14 5 6 1
15 5 7 1
16 5 4 1
17 11 21 2
18 6 8 1
19 3 22 1 #Down
20 6 9 1
21 22 23 1
22 23 1 1
23 7 10 1
24 23 24 2
25 7 11 1
26 1 25 1
27 4 12 1
28 1 26 1 #Up
29 8 13 1
30 26 27 1
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