ATOM 34
1 C2x C 18.4459 -27.3249
2 C5x C 19.8427 -27.3249
3 N1y N 20.2743 -25.9963
4 C1y C 19.1443 -25.1754
5 C2x C 18.0143 -25.9963
6 C1a C 19.1443 -23.7629
7 O5x O 20.6638 -28.4549
8 C5a C 21.5910 -25.5686
9 O5a O 22.9124 -26.4368
10 C2b C 21.6534 -24.2733
11 C2c C 22.9083 -23.6276
12 C1b C 24.0861 -24.3858
13 C1b C 25.3390 -23.7408
14 N1b N 26.5388 -24.5127
15 C5a C 27.7484 -23.8142
16 C1b C 28.9558 -24.5114
17 C1b C 30.1316 -23.8325
18 C2b C 31.3247 -24.5216
19 O5a O 27.7483 -22.4361
20 O2a O 22.9758 -22.2278
21 C1a C 24.2261 -21.5843
22 C2b C 32.5064 -23.8328
23 C1c C 33.7162 -24.5313
24 C1b C 34.9259 -23.8328
25 C1b C 36.1355 -24.5313
26 C2c C 37.3453 -23.8328
27 C1b C 38.5550 -24.5313
28 C1b C 39.7647 -23.8328
29 C1b C 40.9744 -24.5313
30 C1a C 33.7162 -25.9278
31 C2b C 37.3453 -22.4363
32 X Cl 38.5757 -21.7256
33 C3b C 42.2066 -23.8194
34 C3a C 43.4196 -23.1191
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 2
6 4 6 1 #Down
7 2 7 2
8 3 8 1
9 8 9 2
10 8 10 1
11 10 11 2
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 15 19 2
20 11 20 1
21 20 21 1
22 18 22 2
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 23 30 1
31 26 31 2
32 31 32 1
33 29 33 1
34 33 34 3
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