ATOM 42
1 C1y C 14.2297 -15.3577
2 C1y C 14.2297 -16.7603
3 C1y C 15.4444 -17.4616
4 C1y C 16.6591 -16.7603
5 O7x O 16.6591 -15.3577
6 C7x C 15.4444 -14.6564
7 O6a O 15.4444 -13.2539
8 C1a C 13.0150 -14.6564
9 O1a O 13.0150 -17.4616
10 C1a C 15.4444 -18.8640
11 C1b C 17.8925 -17.4726
12 C1c C 19.1000 -16.7756
13 C2b C 20.2845 -17.4597
14 C2b C 21.6871 -17.4597
15 C1c C 22.8782 -16.7603
16 C1c C 24.0930 -17.4616
17 C1c C 25.3076 -16.7603
18 C2b C 26.5223 -17.4616
19 C2c C 27.9249 -17.4616
20 C1b C 29.1198 -16.7603
21 C1c C 30.3346 -17.4616
22 C1c C 31.5492 -16.7603
23 C1c C 32.7639 -17.4616
24 C1c C 33.9786 -16.7603
25 C1c C 35.1933 -17.4616
26 C2b C 36.4080 -16.7603
27 C2b C 37.8106 -16.7603
28 C2b C 39.0082 -17.4616
29 C2a C 40.4108 -17.4616
30 O1a O 19.1005 -15.3581
31 C1a C 22.8730 -15.3578
32 C1a C 35.1933 -18.8642
33 O1a O 24.0930 -18.8640
34 C1a C 25.3076 -15.3577
35 C1a C 30.3346 -18.8640
36 O1a O 31.5492 -15.3577
37 C1a C 32.7639 -18.8641
38 O7a O 33.9786 -15.3580
39 C7a C 35.2141 -14.6443
40 N1a N 36.4224 -15.3418
41 O6a O 35.2139 -13.2538
42 C1a C 27.8705 -18.8100
BOND 42
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 6 7 2
8 1 8 1 #Up
9 2 9 1 #Down
10 3 10 1 #Down
11 4 11 1 #Up
12 11 12 1
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 25 26 1
27 26 27 2
28 27 28 1
29 28 29 2
30 12 30 1 #Down
31 15 31 1 #Down
32 25 32 1 #Down
33 16 33 1 #Up
34 17 34 1 #Up
35 21 35 1 #Up
36 22 36 1 #Up
37 23 37 1 #Up
38 24 38 1 #Up
39 38 39 1
40 39 40 1
41 39 41 2
42 19 42 1
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