ATOM 34
1 C8y C 24.6773 -14.6611
2 C8x C 24.6773 -16.0581
3 C8x C 25.8871 -16.7566
4 C8y C 27.0970 -16.0581
5 C8y C 27.0970 -14.6611
6 C8x C 25.8871 -13.9626
7 C8y C 28.3067 -16.7566
8 C8y C 29.5165 -16.0581
9 C8y C 29.5165 -14.6611
10 O2x O 28.3067 -13.9626
11 C8x C 30.7263 -16.7566
12 C8x C 31.9362 -16.0581
13 C8y C 31.9362 -14.6611
14 C8x C 30.7263 -13.9626
15 N2b N 33.1501 -13.9602 #+
16 C1b C 34.3450 -14.6503
17 C1b C 33.1501 -12.5658
18 C1a C 34.3441 -11.8763
19 C1a C 35.5287 -13.9669
20 C8y C 28.3067 -18.7123
21 C8x C 27.0989 -19.4096
22 C8x C 27.0989 -20.8066
23 C8x C 28.3087 -21.5051
24 C8x C 29.5165 -20.8078
25 C8y C 29.5165 -19.4108
26 C6a C 30.7115 -18.7208
27 O6a O 31.8973 -19.4054
28 O6a O 30.7016 -17.5933
29 N1c N 23.4675 -13.9626
30 C1b C 22.2746 -14.6515
31 C1b C 23.4674 -12.5658
32 C1a C 22.2744 -11.8769
33 C1a C 21.0897 -13.9675
34 X Cl 38.7800 -13.0200 #-
BOND 36
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 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 1
16 9 14 2
17 13 15 2
18 15 16 1
19 15 17 1
20 17 18 1
21 16 19 1
22 7 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 20 25 1
29 25 26 1
30 26 27 1
31 26 28 2
32 1 29 1
33 29 30 1
34 29 31 1
35 31 32 1
36 30 33 1
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