ATOM 49
1 C1z C 25.6132 -19.1890
2 C8y C 24.2763 -19.1807
3 C1z C 26.3239 -18.0675
4 C1y C 26.2395 -20.3187
5 C1x C 24.8465 -18.0588
6 C8y C 23.6361 -20.3027
7 C8y C 23.6499 -18.0510
8 C1y C 25.6266 -17.0077
9 C1x C 27.5201 -18.0748
10 O2x O 24.8240 -21.6470
11 C8y C 27.5062 -20.3265
12 C1x C 24.8600 -15.8774
13 C8y C 22.3694 -20.2954
14 C1x C 24.3601 -16.9998
15 C8x C 22.3833 -18.0436
16 N1y N 26.3373 -15.8861
17 C8y C 28.2168 -19.2051
18 C8x C 21.7436 -19.0948
19 O1a O 21.7293 -21.4169
20 O1a O 27.1756 -16.8764
21 C1b C 25.6410 -14.6855
22 C1y C 26.3520 -13.4935
23 C1x C 27.5520 -12.8676
24 C1x C 26.2897 -12.2271
25 C8y C 29.5537 -19.2133
26 C8y C 30.2505 -20.3435
27 N4x N 28.8354 -21.6013
28 C1z C 32.1573 -19.2292
29 C8y C 33.4943 -19.2375
30 C1z C 31.4606 -18.0291
31 C1y C 31.5171 -20.3513
32 C1x C 32.9377 -18.1077
33 C8y C 34.1207 -20.2975
34 C8y C 34.1346 -18.0457
35 C1y C 32.1708 -17.0479
36 C1x C 30.2644 -18.0917
37 O2x O 32.9162 -21.6969
38 C1x C 32.9513 -15.8564
39 C8y C 35.3873 -20.3047
40 C1x C 33.4374 -17.0556
41 C8x C 35.4011 -18.0530
42 N1y N 31.4740 -15.9177
43 C8x C 36.0279 -19.1827
44 O1a O 36.0137 -21.5049
45 O1a O 30.6236 -16.8976
46 C1b C 32.1851 -14.7258
47 C1y C 31.5586 -13.5252
48 C1x C 30.2965 -12.8846
49 C1x C 31.5666 -12.2586
BOND 61
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 2
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1 #Down
10 4 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 7 15 2
15 8 16 1 #Up
16 9 17 1
17 13 18 2
18 13 19 1
19 6 10 1
20 8 14 1
21 11 17 2
22 12 16 1
23 15 18 1
24 3 20 1 #Up
25 21 22 1
26 21 16 1
27 23 24 1
28 24 22 1
29 22 23 1
30 17 25 1
31 25 26 2
32 11 27 1
33 27 26 1
34 28 29 1
35 28 30 1
36 28 31 1
37 28 32 1 #Down
38 29 33 2
39 29 34 1
40 30 35 1
41 30 36 1
42 31 37 1 #Up
43 31 26 1
44 32 38 1
45 33 39 1
46 34 40 1
47 34 41 2
48 35 42 1 #Down
49 36 25 1
50 39 43 2
51 39 44 1
52 33 37 1
53 35 40 1
54 38 42 1
55 41 43 1
56 30 45 1 #Down
57 46 47 1
58 46 42 1
59 48 49 1
60 49 47 1
61 47 48 1
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