ATOM 47
1 C1y C 8.0500 -14.9100
2 C1y C 9.4500 -14.9100
3 C1y C 9.8700 -13.5800
4 O2x O 8.7500 -12.7400
5 C1y C 7.6300 -13.5800
6 O1a O 7.2100 -16.0300
7 O1a O 10.2900 -16.0300
8 C1b C 6.3000 -13.1600
9 O2b O 5.1100 -13.8600
10 P1b P 3.8500 -13.1600
11 O1c O 4.5500 -11.9000
12 O1c O 3.1500 -14.3500
13 O1c O 2.6600 -12.3900
14 N5y N 11.2000 -13.1600 #+
15 C8x C 12.3900 -13.8600
16 C8y C 13.6500 -13.1600
17 C8x C 13.6500 -11.6900
18 C8y C 12.3900 -10.9900
19 C8x C 11.2000 -11.6900
20 C7a C 12.3900 -9.5900
21 C5a C 14.9100 -13.8600
22 O5a O 16.1000 -13.1600
23 S1a S 14.9100 -15.2600
24 O6a O 10.8500 -8.8900
25 N4y N 22.4475 -7.8833
26 C8y C 23.4879 -8.5769
27 C1y C 21.1297 -8.2994
28 C8x C 22.9330 -6.4961
29 C8y C 24.7364 -7.6752
30 N5x N 23.6266 -10.0334
31 O2x O 20.0199 -7.3978
32 C1y C 20.7135 -9.5479
33 N5x N 24.3202 -6.4961
34 C8y C 25.9848 -8.2301
35 C8x C 24.9444 -10.5883
36 C1y C 18.9102 -8.2301
37 C1y C 19.3263 -9.5479
38 O1a O 21.4071 -10.6577
39 N5x N 26.1236 -9.6866
40 N1a N 27.0252 -7.3978
41 C1b C 17.5923 -7.8139
42 O1a O 18.9102 -10.7964
43 O2b O 16.5519 -8.7156
44 P1b P 15.1648 -8.7156
45 O1c O 15.1648 -10.1028
46 O1c O 15.1648 -7.3284
47 O7a O 13.7648 -8.7156
BOND 51
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1 #Down
7 2 7 1 #Down
8 5 8 1 #Up
9 8 9 1
10 9 10 1
11 10 11 2
12 10 12 1
13 10 13 1
14 3 14 1 #Up
15 14 15 2
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 18 20 1
22 16 21 1
23 21 22 2
24 21 23 1
25 20 24 2
26 25 26 1
27 27 25 1 #Up
28 25 28 1
29 26 29 2
30 26 30 1
31 27 31 1
32 27 32 1
33 28 33 2
34 29 34 1
35 30 35 2
36 31 36 1
37 32 37 1
38 32 38 1 #Down
39 34 39 2
40 34 40 1
41 36 41 1 #Up
42 37 42 1 #Down
43 41 43 1
44 43 44 1
45 44 45 1
46 44 46 2
47 29 33 1
48 35 39 1
49 36 37 1
50 44 47 1
51 20 47 1
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