ATOM 42
1 C1z C 25.6485 -15.8627
2 C1y C 25.6485 -17.1787
3 C1y C 25.6368 -14.4885
4 C1y C 26.5901 -15.1025
5 C1y C 24.5256 -15.2136
6 C1z C 24.5256 -17.8280
7 C1y C 26.6370 -17.9508
8 C1z C 27.8711 -17.6524
9 N1y N 24.0460 -16.5996
10 C1y C 27.8008 -15.3832
11 C1x C 26.4848 -13.8742
12 C1x C 23.3909 -15.8627
13 O2a O 24.5256 -13.9035
14 C1x C 24.0634 -18.9567
15 C1x C 23.3909 -17.1729
16 C1b C 25.0285 -18.9567
17 O2a O 26.3503 -19.2257
18 C1z C 28.3799 -16.4534
19 O1a O 28.6372 -18.6994
20 C1b C 22.8704 -15.9154
21 C1y C 28.4325 -14.3245
22 C1y C 27.6136 -13.3947
23 C1a C 23.3967 -13.2542
24 O7a O 25.0928 -20.2609
25 C1a C 27.6712 -20.3129
26 C1x C 29.9121 -15.7575
27 O1a O 29.5086 -17.1085
28 C1a C 21.6889 -16.5996
29 O2a O 30.6491 -13.2191
30 C1y C 28.8419 -13.3887
31 C7a C 24.0168 -20.8341
32 C1a C 31.9936 -14.0373
33 O2a O 29.6257 -12.3360
34 C8y C 24.0109 -22.0038
35 O6a O 22.9991 -20.2493
36 C1a C 28.9651 -10.9329
37 C8y C 22.9932 -22.5771
38 C8x C 25.0051 -22.5888
39 C8x C 22.9815 -23.7292
40 N1a N 21.9932 -21.9863
41 C8x C 24.9994 -23.7467
42 C8x C 23.9934 -24.3315
BOND 48
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 8 3 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1 #Down
14 6 15 1
15 6 16 1 #Up
16 7 17 1 #Up
17 8 18 1
18 8 19 1
19 9 20 1
20 10 21 1
21 11 22 1
22 13 23 1
23 16 24 1
24 17 25 1
25 18 26 1
26 18 27 1 #Up
27 20 28 1
28 21 29 1 #Down
29 22 30 1
30 24 31 1
31 29 32 1
32 30 33 1 #Up
33 31 34 1
34 31 35 2
35 33 36 1
36 34 37 2
37 34 38 1
38 37 39 1
39 37 40 1
40 38 41 2
41 39 42 2
42 7 8 1
43 9 14 1
44 10 18 1
45 12 15 1
46 21 22 1
47 26 30 1
48 41 42 1
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