ATOM 48
1 C1y C 27.3630 -19.2325
2 C5x C 28.5350 -18.5547
3 N1x N 29.7071 -19.2254
4 C1y C 30.8720 -18.5476
5 C1b C 32.0441 -19.2184
6 C8y C 33.2161 -18.5406
7 C8x C 26.8559 -14.2866
8 C8y C 26.8559 -15.6422
9 C8x C 28.0342 -16.3200
10 C8x C 29.2055 -15.6422
11 C8y C 29.2055 -14.2866
12 C8x C 28.0342 -13.6087
13 C2x C 30.3813 -13.6098
14 O2x O 25.6809 -16.3206
15 C1y C 25.6816 -18.2622
16 C2x C 32.0575 -14.5850
17 N1x N 32.0548 -16.5237
18 C5x C 30.8690 -17.1920
19 O5x O 28.5319 -17.1991
20 O5x O 29.7049 -16.5070
21 N1b N 27.3641 -20.5881
22 C1c C 24.5024 -18.9443
23 C5a C 28.5401 -21.2649
24 C1y C 28.5411 -22.6205
25 O5a O 29.7077 -20.5863
26 C1a C 24.5110 -20.3036
27 C8x C 34.3833 -19.2189
28 C8x C 35.5553 -18.5411
29 C8x C 35.5537 -17.1884
30 C8x C 34.3800 -16.5137
31 C8x C 33.2779 -17.1915
32 N1y N 27.4462 -23.4210
33 C1x C 27.8651 -24.7080
34 C1x C 29.2277 -24.7066
35 C1x C 29.6447 -23.4193
36 C5a C 26.2699 -22.7379
37 C1c C 25.0978 -23.4158
38 C1b C 23.9259 -22.7379
39 C8y C 22.7538 -23.4158
40 O5a O 26.2711 -21.5923
41 N1b N 25.0978 -24.7714
42 C1a C 23.9225 -25.4492
43 C8x C 21.5800 -22.7408
44 C8x C 20.4081 -23.4186
45 C8x C 20.4098 -24.7714
46 C8x C 21.5834 -25.4463
47 C8x C 22.7555 -24.7685
48 C1a C 23.3243 -18.2709
BOND 52
1 12 7 2
2 24 23 1 #Down
3 1 2 1
4 23 25 2
5 11 13 1
6 26 22 1
7 3 4 1
8 8 14 1
9 14 15 1
10 4 5 1 #Down
11 6 27 2
12 27 28 1
13 28 29 2
14 29 30 1
15 30 31 2
16 31 6 1
17 13 16 2
18 15 1 1
19 2 3 1
20 16 17 1
21 24 32 1
22 32 33 1
23 33 34 1
24 34 35 1
25 35 24 1
26 5 6 1
27 32 36 1
28 4 18 1
29 36 37 1
30 18 17 1
31 37 38 1
32 7 8 1
33 38 39 1
34 2 19 2
35 36 40 2
36 8 9 2
37 37 41 1 #Up
38 18 20 2
39 41 42 1
40 9 10 1
41 1 21 1 #Up
42 10 11 2
43 15 22 1 #Down
44 11 12 1
45 39 43 2
46 43 44 1
47 44 45 2
48 45 46 1
49 46 47 2
50 47 39 1
51 21 23 1
52 22 48 1
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