ATOM 28
1 C1y C 23.1238 -25.5818
2 C8y C 21.9172 -26.2806
3 C8y C 24.3351 -26.2690
4 C7a C 23.1238 -24.1832
5 C8y C 21.9229 -27.6853
6 C8x C 20.7048 -25.5877
7 C8y C 24.3409 -27.6737
8 C8x C 25.5417 -25.5644
9 O7a O 24.3235 -23.4773
10 O6a O 21.9055 -23.4830
11 O2x O 23.1354 -28.3853
12 C8x C 20.7105 -28.3912
13 C8x C 19.4980 -26.2865
14 C8x C 25.5650 -28.3738
15 C8x C 26.7658 -26.2457
16 C1b C 24.3235 -22.0842
17 C8x C 19.5623 -27.6912
18 C8x C 26.7774 -27.6620
19 C1b C 25.5360 -21.3854
20 N1d N 25.5360 -19.9925 #+
21 C1c C 26.7484 -19.2925
22 C1c C 24.3235 -19.2925
23 C1a C 26.7484 -20.6913
24 C1a C 26.7484 -17.8995
25 C1a C 27.9607 -19.9925
26 C1a C 24.3176 -17.8936
27 C1a C 23.1180 -19.9984
28 X Cl 29.6110 -23.6695 #-
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 8 15 2
15 9 16 1
16 12 17 2
17 14 18 2
18 16 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 1
23 21 24 1
24 21 25 1
25 22 26 1
26 22 27 1
27 7 11 1
28 13 17 1
29 15 18 1
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