ATOM 46
1 C2y C 27.4409 -17.9910
2 C1y C 28.6624 -17.2783
3 C2x C 27.4686 -19.3809
4 C1x C 26.2190 -17.2909
5 C1x C 28.6537 -15.8632
6 O7a O 29.8833 -17.9653
7 C1y C 26.2634 -20.0976
8 C1z C 26.2752 -15.8790
9 C1y C 27.4215 -15.1692
10 C7a C 31.0937 -17.2454
11 C1y C 25.0374 -19.4138
12 O7a O 26.2721 -21.5127
13 C5x C 24.9843 -15.1921
14 C1a C 26.1786 -14.4680
15 O1a O 27.5407 -13.7552
16 C1c C 32.3177 -17.9374
17 O6a O 31.0623 -15.8374
18 C1z C 25.0270 -18.0068
19 C1x C 23.8290 -20.1257
20 C7a C 25.0617 -22.2325
21 C1y C 23.7788 -15.9090
22 O5x O 24.9577 -13.7811
23 C1c C 33.5129 -17.2264
24 O1a O 32.3284 -19.3443
25 C2y C 23.8026 -17.3147
26 C1a C 25.6254 -16.5939
27 C1a C 26.1018 -18.3433
28 C1y C 22.6050 -19.4335
29 C1a C 25.0795 -23.6284
30 O6a O 23.8266 -21.5333
31 O1a O 22.5366 -15.2208
32 C8y C 33.5612 -15.8125
33 N1c N 34.7389 -17.9105
34 C2y C 22.5893 -18.0297
35 O7a O 21.3997 -20.1504
36 C8x C 34.7715 -15.0925
37 C8x C 32.3271 -15.1264
38 C1a C 35.9494 -17.1905
39 C1a C 34.7473 -19.3254
40 C1a C 21.3492 -17.1223
41 C8x C 34.8230 -13.6838
42 C8x C 32.3105 -13.7094
43 C8x C 33.5208 -12.9897
44 C7a C 20.1748 -19.4642
45 C1a C 18.9684 -20.1819
46 O6a O 20.1570 -18.3420
BOND 49
1 1 4 1
2 2 5 1
3 2 6 1 #Down
4 3 7 1
5 4 8 1
6 5 9 1
7 6 10 1
8 7 11 1
9 7 12 1 #Down
10 8 13 1
11 8 14 1 #Up
12 9 15 1 #Up
13 10 16 1
14 10 17 2
15 11 18 1
16 11 19 1
17 12 20 1
18 13 21 1
19 13 22 2
20 16 23 1
21 16 24 1 #Up
22 18 25 1
23 18 26 1
24 18 27 1
25 19 28 1
26 20 29 1
27 20 30 2
28 21 31 1 #Up
29 23 32 1
30 23 33 1 #Down
31 25 34 2
32 28 35 1 #Down
33 32 36 1
34 32 37 2
35 33 38 1
36 33 39 1
37 34 40 1
38 36 41 2
39 37 42 1
40 41 43 1
41 8 9 1
42 21 25 1
43 28 34 1
44 42 43 2
45 35 44 1
46 1 2 1
47 44 45 1
48 1 3 2
49 44 46 2
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