ATOM 53
1 C1z C 28.5841 -22.6982
2 C1y C 28.5610 -21.3207
3 C2y C 29.7779 -23.3619
4 C8y C 27.4316 -24.7511
5 C1x C 27.1772 -22.9068
6 N1y N 27.2788 -20.6536
7 C2y C 30.9588 -22.6536
8 N1x N 29.7243 -24.7278
9 C8y C 28.6225 -25.4199
10 C8x C 26.2620 -25.4511
11 C1x C 26.6138 -21.7938
12 C1x C 30.9505 -21.2855
13 C1x C 27.3280 -19.2718
14 C8x C 28.6441 -26.7885
15 C8x C 26.2819 -26.7989
16 C1z C 28.5140 -18.5544
17 C8x C 27.4728 -27.4675
18 C1z C 28.5040 -14.4408
19 C1y C 29.6941 -13.7462
20 C8y C 26.1498 -14.4408
21 C1x C 27.6336 -13.3163
22 N1y N 29.6824 -12.3628
23 C8y C 26.1498 -15.8067
24 C8x C 24.9668 -13.7636
25 C1x C 28.3282 -12.2802
26 C1x C 30.8945 -15.8126
27 C1x C 30.8769 -11.6682
28 C8x C 24.9668 -16.4956
29 C8x C 23.8014 -14.4408
30 C1x C 32.0832 -12.3511
31 C8y C 23.8014 -15.8067
32 O2a O 22.6301 -16.4780
33 C1a C 21.4646 -15.7951
34 C1y C 29.7058 -16.4897
35 C1z C 28.5130 -15.8017
36 N1y N 27.3209 -16.4905
37 C1x C 27.3214 -17.8674
38 C1x C 29.7061 -17.8666
39 C1y C 29.7176 -19.2367
40 C1z C 29.7399 -20.6244
41 C1x C 31.0666 -21.0320
42 C1x C 31.8639 -19.8961
43 O2x O 31.0303 -18.7867
44 C1y C 32.0774 -13.7346
45 C1z C 30.8772 -14.4332
46 C1x C 31.1708 -15.7905
47 C1x C 32.5524 -15.9305
48 O2x O 33.1127 -14.6601
49 C7a C 32.1573 -23.3447
50 O7a O 33.3609 -22.6479
51 C1a C 34.5644 -23.3447
52 O6a O 32.1502 -24.7383
53 O1a O 28.7844 -17.1931
BOND 65
1 39 16 1
2 18 19 1
3 18 35 1
4 18 20 1
5 18 21 1 #Up
6 19 45 1
7 19 22 1
8 20 23 2
9 20 24 1
10 21 25 1
11 45 26 1
12 22 27 1
13 23 28 1
14 24 29 2
15 44 30 1
16 28 31 2
17 31 32 1
18 32 33 1
19 22 25 1
20 34 26 1
21 36 23 1
22 27 30 1
23 29 31 1
24 14 17 2
25 6 11 1
26 7 12 1
27 8 9 1
28 13 16 1
29 34 35 1
30 35 36 1
31 36 37 1
32 16 37 1 #Up
33 16 38 1 #Down
34 38 34 1
35 15 17 1
36 1 2 1
37 1 3 1
38 39 40 1
39 40 41 1 #Down
40 41 42 1
41 42 43 1
42 43 39 1
43 1 4 1
44 1 5 1 #Up
45 2 40 1
46 2 6 1
47 3 7 2
48 44 45 1
49 45 46 1 #Down
50 46 47 1
51 47 48 1
52 48 44 1
53 3 8 1
54 7 49 1
55 4 9 2
56 49 50 1
57 4 10 1
58 50 51 1
59 5 11 1
60 49 52 2
61 40 12 1
62 6 13 1
63 9 14 1
64 35 53 1 #Up
65 10 15 2
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