ATOM 45
1 C1y C 13.9442 -16.0722
2 C1y C 13.9442 -17.4436
3 O2x O 12.7597 -15.3927
4 O2b O 15.1161 -15.3866
5 C1y C 12.7597 -18.1354
6 N1b N 15.8329 -18.7694
7 C1y C 11.5816 -16.0722
8 P1b P 16.4813 -15.3927
9 C1y C 11.5816 -17.4436
10 O7a O 12.7536 -20.3982
11 C5a C 17.4024 -18.2861
12 C1b C 10.4095 -15.3927
13 O2c O 17.8339 -15.3927
14 O1c O 16.4813 -14.0338
15 O1c O 16.4813 -16.7454
16 O1a O 10.4033 -18.1168
17 C7a C 12.7472 -21.7572
18 C1a C 18.6444 -18.9655
19 O5a O 17.4599 -16.9272
20 P1b P 19.1930 -15.3927
21 C1b C 13.9192 -22.4367
22 O6a O 11.5754 -22.4367
23 O2b O 20.5456 -15.3988
24 O1c O 19.1930 -14.0338
25 O1c O 19.1867 -16.7454
26 C1c C 15.0973 -21.7572
27 C1b C 20.8386 -16.7205
28 R R 16.2693 -22.4367
29 O1a O 15.0973 -20.3982
30 C1y C 22.1290 -17.1320
31 O2x O 23.2073 -16.3526
32 C1y C 22.5654 -18.4285
33 C1y C 24.3232 -17.1631
34 C1y C 23.9180 -18.4285
35 O1a O 21.7736 -19.5320
36 N4y N 25.3831 -14.9562
37 O1a O 24.7222 -19.5257
38 C8y C 24.2173 -14.2581
39 C8x C 26.5800 -14.2581
40 N4x N 24.2173 -12.8868
41 O5x O 23.0390 -14.9252
42 C8x C 26.5800 -12.8868
43 C8y C 25.3893 -12.2072
44 O5x O 25.3831 -10.8483
45 O1a O 9.2070 -16.0841
BOND 47
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Down
6 3 7 1
7 4 8 1
8 5 9 1
9 5 10 1 #Up
10 6 11 1
11 7 12 1 #Up
12 8 13 1
13 8 14 1
14 8 15 2
15 9 16 1 #Down
16 10 17 1
17 11 18 1
18 11 19 2
19 13 20 1
20 17 21 1
21 17 22 2
22 20 23 1
23 20 24 1
24 20 25 2
25 21 26 1
26 23 27 1
27 26 28 1
28 26 29 1 #Down
29 30 27 1 #Up
30 30 31 1
31 30 32 1
32 31 33 1
33 32 34 1
34 32 35 1 #Down
35 33 36 1 #Up
36 34 37 1 #Down
37 36 38 1
38 36 39 1
39 38 40 1
40 38 41 2
41 39 42 2
42 40 43 1
43 43 44 2
44 7 9 1
45 33 34 1
46 42 43 1
47 12 45 1
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