ATOM 53
1 C2y C 31.6068 -18.8296
2 C2y C 33.0135 -18.8296
3 O2x O 30.3870 -19.5416
4 C1x C 31.1691 -17.4989
5 C1x C 34.2098 -19.5240
6 C5x C 33.4452 -17.4989
7 C1y C 30.3870 -20.9364
8 C1y C 32.3072 -16.6701
9 C1y C 34.2098 -20.9305
10 O5x O 34.6534 -16.7926
11 C1y C 29.1732 -21.6309
12 C1c C 29.1732 -20.2361
13 O1a O 32.3655 -15.2694
14 N1x N 33.0076 -21.6251
15 C6a C 35.4238 -21.6192
16 N1b N 27.9650 -20.9422
17 C5x C 29.1732 -23.0316
18 C1a C 29.1672 -18.5553
19 C1a C 27.9534 -19.5416
20 C5x C 33.0076 -23.0259
21 O6a O 36.6377 -20.9190
22 O6a O 35.4179 -23.0259
23 C5a C 26.7510 -21.6426
24 N1x N 30.3870 -23.7262
25 O5x O 27.9534 -23.7262
26 C2y C 31.7937 -23.7262
27 O5x O 34.2098 -23.7262
28 C1c C 25.5371 -20.9481
29 O5a O 26.7452 -23.0433
30 C2b C 31.7937 -25.1270
31 N1b N 25.5314 -19.5474
32 C1c C 24.3232 -21.6485
33 X Cl 33.0076 -25.8156
34 C5a C 24.3173 -18.8470
35 C1b C 23.1151 -20.9539
36 O1a O 24.3173 -23.0492
37 C1c C 24.3173 -17.4522
38 O5a O 23.1034 -19.5474
39 C1b C 21.9070 -21.6542
40 C1b C 25.5314 -16.7519
41 N1b N 23.1034 -16.7519
42 C1b C 20.6930 -20.9656
43 C1c C 25.5314 -15.3569
44 C5a C 21.8894 -17.4522
45 N1a N 19.4791 -21.6602
46 C1c C 24.3173 -14.6565
47 C1a C 26.7452 -14.6508
48 C1c C 20.6755 -16.7519
49 O5a O 21.8836 -18.8530
50 X Cl 24.3173 -13.2617
51 X Cl 23.1034 -15.3569
52 O1a O 19.4674 -17.4522
53 O1a O 20.6696 -15.3511
BOND 54
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 2
10 7 11 1
11 7 12 1 #Down
12 8 13 1
13 9 14 1 #Up
14 9 15 1
15 11 16 1 #Up
16 11 17 1
17 12 18 1
18 12 19 1
19 14 20 1
20 15 21 1
21 15 22 2
22 16 23 1
23 17 24 1
24 17 25 2
25 20 26 1
26 20 27 2
27 23 28 1
28 23 29 2
29 26 30 2
30 28 31 1 #Down
31 28 32 1
32 30 33 1
33 31 34 1
34 32 35 1
35 32 36 1 #Down
36 34 37 1
37 34 38 2
38 35 39 1
39 37 40 1
40 37 41 1 #Up
41 39 42 1
42 40 43 1
43 41 44 1
44 42 45 1
45 43 46 1
46 43 47 1
47 44 48 1
48 44 49 2
49 46 50 1
50 46 51 1
51 48 52 1
52 48 53 1
53 6 8 1
54 24 26 1
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