ATOM 34
1 C8x C 25.0043 -18.5214
2 C8x C 23.7606 -16.4335
3 C8x C 26.1714 -14.9976
4 C8x C 27.4151 -17.0855
5 C8y C 24.9852 -17.1186
6 C8y C 26.1906 -16.4006
7 C8y C 23.7988 -19.2394
8 C8y C 22.5552 -17.1515
9 C8y C 27.3770 -14.2796
10 C8y C 28.6205 -16.3676
11 C8y C 22.5743 -18.5545
12 C8y C 28.6015 -14.9646
13 O1a O 21.3690 -19.2724
14 O1a O 29.8068 -14.2466
15 C1b C 23.8177 -20.6421
16 C1b C 21.3308 -16.4666
17 C1b C 27.3578 -12.8768
18 C1b C 29.8450 -17.0525
19 N1c N 20.1137 -17.1915
20 N1c N 28.5507 -12.1664
21 C1b C 18.8991 -16.5119
22 C1b C 20.0625 -18.5861
23 C1a C 18.8573 -19.3067
24 C1a C 17.6849 -17.2352
25 C1b C 29.7597 -12.8422
26 C1b C 28.5311 -10.7290
27 C1a C 29.7502 -10.0027
28 C1a C 30.9558 -12.1293
29 C2b C 22.6114 -21.2811
30 C2a C 22.6308 -22.6548
31 C2b C 31.0302 -16.3459
32 C2a C 32.2337 -17.0187
33 X Cl 38.5239 -17.7915
34 X Cl 38.5239 -17.7915
BOND 33
1 1 5 2
2 1 7 1
3 2 5 1
4 2 8 2
5 3 6 2
6 3 9 1
7 4 6 1
8 4 10 2
9 5 6 1
10 7 11 2
11 7 15 1
12 8 11 1
13 8 16 1
14 9 12 2
15 9 17 1
16 10 12 1
17 10 18 1
18 11 13 1
19 12 14 1
20 16 19 1
21 17 20 1
22 19 21 1
23 19 22 1
24 22 23 1
25 21 24 1
26 20 25 1
27 20 26 1
28 26 27 1
29 25 28 1
30 15 29 1
31 29 30 2
32 18 31 1
33 31 32 2
BRACKET 1 36.8900 -18.4800 36.8900 -16.9400
1 39.3400 -16.9400 39.3400 -18.4800
1 2
ORIGINAL 1 33
REPEAT 1 34
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