ATOM 50
1 C1y C 25.7600 -18.4800
2 C1y C 25.7600 -19.8800
3 C1y C 26.9724 -20.5800
4 C1y C 28.1849 -19.8800
5 O2x O 28.1849 -18.4800
6 C1y C 26.9724 -17.7800
7 O2a O 26.9724 -16.3802
8 N1b N 24.5476 -17.7800
9 O1a O 24.5476 -20.5800
10 O1a O 26.9724 -21.9798
11 C1b C 29.4160 -20.5910
12 C5a C 23.3576 -18.4800
13 C2b C 22.1451 -17.7800
14 C2b C 20.9327 -18.4800
15 C1b C 19.7203 -17.7800
16 C1c C 18.5078 -18.4800
17 C1a C 17.2954 -17.7800
18 O5a O 23.3633 -19.5999
19 C1a C 18.5078 -19.8797
20 C1y C 26.9724 -14.9802
21 O2x O 28.1680 -14.2897
22 C1y C 28.1678 -12.8897
23 C1y C 26.9553 -12.1899
24 C1y C 25.7598 -12.8803
25 C1y C 25.7599 -14.2803
26 O1a O 24.5473 -12.1805
27 C1b C 29.3632 -12.1990
28 O1a O 26.9552 -10.7800
29 N1b N 24.5478 -14.9803
30 C5a C 23.3576 -14.2800
31 C1a C 22.1451 -14.9800
32 O5a O 23.3634 -13.0901
33 C1c C 30.6124 -19.8800
34 C1y C 31.8249 -20.5800
35 C1y C 32.2660 -21.9102
36 C1y C 33.6659 -21.9013
37 C1y C 34.0901 -20.5671
38 O2x O 32.9523 -19.7514
39 N4y N 35.4148 -20.1274
40 C8y C 36.4803 -21.0742
41 N4x N 37.8089 -20.6328
42 C8y C 38.0910 -19.2615
43 C8x C 37.0255 -18.3148
44 C8x C 35.6969 -18.7561
45 O1a O 31.4516 -23.0458
46 O1a O 34.5016 -23.0363
47 O5x O 36.1987 -22.4435
48 O5x O 39.4130 -18.8222
49 O1a O 30.5427 -12.8795
50 O1a O 30.6036 -18.4801
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 6 7 1 #Up
8 1 8 1 #Up
9 2 9 1 #Down
10 3 10 1 #Down
11 4 11 1 #Down
12 8 12 1
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 1
17 16 17 1
18 12 18 2
19 16 19 1
20 20 7 1 #Down
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 20 25 1
27 24 26 1 #Up
28 22 27 1 #Up
29 23 28 1 #Down
30 25 29 1 #Down
31 29 30 1
32 30 31 1
33 30 32 2
34 11 33 1
35 34 33 1 #Up
36 34 35 1
37 35 36 1
38 36 37 1
39 37 38 1
40 34 38 1
41 37 39 1 #Up
42 39 40 1
43 40 41 1
44 41 42 1
45 42 43 1
46 43 44 2
47 39 44 1
48 35 45 1 #Down
49 36 46 1 #Down
50 40 47 2
51 42 48 2
52 27 49 1
53 33 50 1
BRACKET 1 19.2500 -19.3200 19.2500 -17.3600
1 20.0200 -17.3600 20.0200 -19.3200
1 n
ORIGINAL 1 15
REPEAT 1
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