ATOM 42
1 C1z C 29.6366 -17.5208
2 C1y C 30.3624 -16.6167
3 C1x C 30.6116 -18.3746
4 C1y C 31.4941 -17.3382
5 C1y C 32.3032 -16.5592
6 C1x C 33.3474 -17.3545
7 C1b C 32.7030 -15.1462
8 C8x C 28.8986 -23.4167
9 C8x C 28.9319 -21.9538
10 C8x C 27.7428 -21.2533
11 C8x C 27.8303 -24.1863
12 C8y C 26.5710 -23.4998
13 C8y C 26.6044 -22.0298
14 N4y N 25.3551 -21.5736
15 C8y C 24.5758 -22.7769
16 C1y C 23.3156 -22.7828
17 N1x N 22.5071 -23.8241
18 C1x C 23.0988 -25.0346
19 C1x C 24.4370 -25.2033
20 C1x C 23.5807 -20.1856
21 C1x C 22.7737 -21.2912
22 C1y C 24.9110 -20.3566
23 C8y C 25.1692 -24.1732
24 C8y C 26.5735 -16.8820
25 N4x N 27.7177 -18.4894
26 C8y C 26.5748 -18.0938
27 C8x C 25.5193 -16.2732
28 C8y C 25.5193 -18.7096
29 C8x C 24.4741 -16.8820
30 C8y C 24.4741 -18.0938
31 O1a O 23.4297 -18.6995
32 C8y C 28.4291 -17.5095
33 C8y C 27.7389 -16.5256
34 C1x C 28.0775 -15.3566
35 C1x C 29.1958 -14.8960
36 N1y N 30.2495 -15.4826
37 C1x C 31.1254 -13.8464
38 C7a C 29.6345 -18.8757
39 O7a O 30.9995 -19.9609
40 C1a C 32.3270 -19.1588
41 O6a O 28.4766 -19.9914
42 C1a C 34.0691 -14.8240
BOND 50
1 3 4 1
2 5 6 1
3 1 2 1
4 1 3 1
5 2 5 1
6 16 17 1
7 17 18 1
8 18 19 1
9 33 24 1
10 32 25 1
11 24 26 2
12 24 27 1
13 26 28 1
14 27 29 2
15 28 30 2
16 25 26 1
17 29 30 1
18 19 23 1
19 30 31 1
20 12 13 2
21 32 33 2
22 8 9 1
23 33 34 1
24 32 1 1
25 20 21 1
26 34 35 1
27 21 16 1
28 35 36 1
29 2 36 1
30 22 20 1
31 14 22 1
32 13 14 1
33 15 23 2
34 23 12 1
35 14 15 1
36 36 37 1 #Up
37 9 10 2
38 10 13 1
39 1 38 1 #Down
40 12 11 1
41 38 39 1
42 11 8 2
43 39 40 1
44 15 16 1
45 38 41 2
46 22 28 1
47 4 37 1 #Up
48 4 6 1
49 7 42 1
50 5 7 1 #Up
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