ATOM 50
1 C1y C 31.8740 -24.2309
2 C1y C 31.8740 -25.6276
3 C1y C 33.0836 -26.3259
4 C1x C 34.2932 -25.6276
5 C1y C 34.2932 -24.2309
6 O2x O 33.0836 -23.5325
7 C2y C 30.6645 -22.1358
8 C2x C 30.6645 -23.5325
9 C1x C 35.5028 -23.5325
10 C2x C 35.5028 -22.1358
11 C2x C 36.7821 -21.9140
12 C2x C 37.6301 -20.7168
13 C2x C 36.8619 -19.4375
14 C7x C 35.3731 -19.2156
15 O7x O 35.3190 -17.8068
16 C1y C 34.1552 -17.1524
17 C1x C 32.9714 -17.8938
18 C1y C 31.7376 -17.2394
19 C2x C 30.5539 -17.9808
20 C2x C 30.5348 -19.3909
21 C1x C 29.2555 -19.5429
22 C2x C 28.5472 -20.6003
23 C2x C 29.3154 -21.9496
24 C1a C 31.7300 -21.2070
25 O6a O 36.5826 -18.1681
26 O1a O 33.0836 -27.7224
27 C1a C 30.6645 -26.3259
28 C1z C 34.1747 -15.7565
29 C1y C 32.8710 -15.1022
30 O2x O 31.6871 -15.8436
31 C1b C 32.8203 -13.6861
32 C2b C 31.8206 -12.7649
33 C2b C 30.4239 -12.7649
34 C1b C 29.1979 -13.4762
35 C1c C 27.9883 -12.7779
36 C7a C 26.7788 -13.4762
37 O7a O 25.5692 -12.7779
38 C1b C 24.3596 -13.4762
39 C2c C 23.1500 -12.7779
40 C1b C 35.3183 -15.0824
41 O1a O 36.5280 -15.7808
42 C1a C 35.1623 -16.7442
43 O1a O 27.9883 -11.3814
44 O6a O 26.7788 -14.8729
45 C1b C 21.9364 -13.4785
46 C2a C 23.1500 -11.3812
47 C1b C 20.7184 -12.7751
48 C1c C 19.4921 -13.4824
49 C1a C 18.2685 -12.7749
50 C1a C 19.4919 -14.9096
BOND 52
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 7 8 2
8 1 8 1
9 5 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 2
21 20 21 1
22 21 22 1
23 22 23 2
24 23 7 1
25 7 24 1
26 14 25 2
27 3 26 1 #Up
28 2 27 1 #Down
29 16 28 1
30 28 29 1
31 29 30 1
32 18 30 1
33 29 31 1 #Down
34 31 32 1
35 32 33 2
36 33 34 1
37 34 35 1
38 35 36 1
39 36 37 1
40 37 38 1
41 38 39 1
42 28 40 1
43 40 41 1
44 28 42 1 #Down
45 35 43 1 #Up
46 36 44 2
47 39 45 1
48 39 46 2
49 45 47 1
50 47 48 1
51 48 49 1
52 48 50 1
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