ATOM 66
1 C1y C 9.8700 -21.2100
2 C1y C 11.2700 -21.2100
3 C1y C 11.6900 -19.8800
4 C1y C 10.5700 -19.0400
5 O2x O 9.4500 -19.8800
6 O2b O 12.2500 -22.1900
7 C1b C 8.6800 -21.9100
8 R R 9.8700 -17.8500
9 O2b O 7.2800 -21.9100
10 P1b P 5.8800 -21.9100
11 O1c O 5.8800 -23.3100
12 O1c O 5.8800 -20.5100
13 O1c O 4.3400 -21.9100
14 C1y C 19.1800 -21.4900
15 C1y C 20.5800 -21.4900
16 C1y C 21.0000 -20.1600
17 C1y C 19.8800 -19.3200
18 O2x O 18.7600 -20.1600
19 O2b O 21.3500 -22.3300
20 C1b C 17.9900 -22.1900
21 O2b O 16.5900 -22.1900
22 P1b P 15.1900 -22.1900
23 O1c O 15.1900 -23.5900
24 O1c O 15.1900 -20.7900
25 C1y C 27.8600 -21.6300
26 C1y C 29.2600 -21.6300
27 C1y C 29.6800 -20.3000
28 C1y C 28.5600 -19.4600
29 O2x O 27.4400 -20.3000
30 O1a O 30.2400 -22.6100
31 C1b C 26.6700 -22.3300
32 R R 27.8600 -18.2700
33 O2b O 25.2700 -22.3300
34 P1b P 23.8700 -22.3300
35 O1c O 23.8700 -23.7300
36 O1c O 23.8700 -20.9300
37 O1a O 12.6700 -18.9000
38 O1a O 21.7700 -19.0400
39 O1a O 30.6600 -19.3200
40 N4y N 16.3100 -14.9100
41 C8y C 16.3100 -16.3100
42 N4y N 17.5000 -17.0100
43 C8y C 18.7600 -16.3100
44 C8y C 18.7600 -14.9100
45 C8y C 17.5000 -14.2100
46 N4y N 20.0900 -16.7300
47 C8x C 20.8600 -15.6100
48 N5x N 20.0900 -14.4900
49 C8y C 14.9800 -14.4900
50 C8y C 14.1400 -15.6100
51 N5x N 14.9800 -16.7300
52 O5x O 17.5000 -12.8100
53 C1a C 12.8100 -15.4700
54 C1b C 14.2800 -13.3000
55 C1b C 14.9800 -12.0400
56 C1c C 14.2800 -10.8500
57 C7a C 12.9500 -10.5000
58 O7a O 11.9700 -11.4800
59 O6a O 12.2500 -9.2400
60 N1b N 14.9800 -9.6376
61 C1a C 10.6177 -11.1177
62 C7a C 16.3800 -9.6376
63 O6a O 17.0800 -10.8500
64 O7a O 17.0704 -8.4421
65 C1a C 18.4704 -8.4421
66 C1a C 17.4828 -18.4099
BOND 71
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Down
7 1 7 1 #Up
8 4 8 1 #Up
9 7 9 1
10 9 10 1
11 10 11 2
12 10 12 1
13 10 13 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 14 18 1
19 15 19 1 #Down
20 14 20 1 #Up
21 20 21 1
22 21 22 1
23 22 23 2
24 22 24 1
25 22 6 1
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 25 29 1
31 26 30 1 #Down
32 25 31 1 #Up
33 28 32 1 #Up
34 31 33 1
35 33 34 1
36 34 35 2
37 34 36 1
38 34 19 1
39 3 37 1 #Down
40 16 38 1 #Down
41 27 39 1 #Down
42 40 41 1
43 41 42 1
44 42 43 1
45 43 44 2
46 44 45 1
47 40 45 1
48 43 46 1
49 46 47 1
50 47 48 2
51 44 48 1
52 40 49 1
53 49 50 2
54 50 51 1
55 41 51 2
56 45 52 2
57 50 53 1
58 49 54 1
59 54 55 1
60 55 56 1
61 56 57 1
62 57 58 1
63 57 59 2
64 17 46 1 #Up
65 56 60 1 #Up
66 58 61 1
67 60 62 1
68 62 63 2
69 62 64 1
70 64 65 1
71 42 66 1
BRACKET 1 5.3900 -23.5200 5.3900 -16.1700
1 13.5100 -16.1700 13.5100 -23.5200
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 12 38
REPEAT 1
2 23.4500 -23.9400 23.4500 -16.5200
2 31.5700 -16.5200 31.5700 -23.9400
2 n
ORIGINAL 2 25 26 27 28 29 30 31 32 33 34 35 36 40
REPEAT 2
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