ATOM 50
1 N1x N 16.1000 -11.1300
2 C1z C 16.1000 -12.5300
3 C1x C 17.3124 -13.2300
4 C1y C 18.5249 -12.5300
5 O7x O 18.5249 -11.1300
6 C7x C 17.3124 -10.4300
7 C1y C 14.8876 -13.2300
8 C2x C 13.6751 -12.5300
9 C2x C 12.4627 -13.2300
10 C1y C 19.7560 -13.2410
11 O6a O 17.3124 -9.0302
12 C2x C 12.4627 -14.6300
13 C2y C 11.2482 -15.3312
14 C1x C 11.2482 -16.7312
15 C8y C 12.4764 -17.4403
16 C8x C 12.4762 -18.8299
17 C8y C 13.6885 -19.5301
18 C8y C 14.9011 -18.8303
19 C8y C 14.9013 -17.4407
20 C8x C 13.6889 -16.7405
21 N1y N 16.1224 -16.7300
22 C5x C 17.3349 -17.4300
23 C1x C 18.5473 -16.7300
24 C1y C 19.8996 -17.0923
25 C1z C 20.8895 -15.6824
26 C1y C 19.7695 -14.6100
27 C1a C 10.0517 -14.6402
28 O2a O 13.6883 -20.9296
29 C1a C 12.4996 -21.6160
30 X Cl 16.1199 -19.5343
31 O5x O 17.3349 -18.8300
32 C1a C 16.1199 -15.3301
33 O1a O 16.1000 -13.9300
34 C1a C 20.9684 -12.5410
35 O2x O 21.1218 -14.2477
36 C1a C 22.2195 -14.8424
37 O7a O 21.3724 -18.1300
38 C7a C 22.5849 -17.4300
39 C1c C 23.7973 -18.1300
40 N1c N 25.0097 -17.4300
41 C5a C 26.2222 -18.1300
42 C1b C 27.4346 -17.4300
43 C1b C 28.6470 -18.1300
44 O6a O 22.5849 -16.0300
45 C1a C 23.7973 -19.5300
46 C1a C 25.0097 -16.0301
47 O5a O 26.2222 -19.5297
48 O2a O 14.8876 -11.9700
49 C1a C 13.6752 -11.1300
50 S1a S 29.8466 -17.4373
BOND 53
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 2 7 1
8 7 8 1
9 8 9 2
10 4 10 1
11 6 11 2
12 9 12 1
13 12 13 2
14 13 14 1
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 19 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 10 26 1
29 13 27 1
30 17 28 1
31 28 29 1
32 18 30 1
33 22 31 2
34 21 32 1
35 2 33 1 #Up
36 10 34 1 #Up
37 26 35 1
38 25 35 1 #Up
39 25 36 1 #Down
40 24 37 1 #Down
41 37 38 1
42 38 39 1
43 39 40 1
44 40 41 1
45 41 42 1
46 42 43 1
47 38 44 2
48 39 45 1 #Up
49 40 46 1
50 41 47 2
51 7 48 1 #Down
52 48 49 1
53 43 50 1
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