Ticket #19254: min-gas.pdb

File min-gas.pdb, 6.1 KB (added by dkhsu@…, 4 days ago)

Added by email2trac

Line 
1ATOM 1 HO1 ROH 1 -3.829 9.020 -1.472 1.00 0.00 H
2ATOM 2 O1 ROH 1 -4.274 9.402 -2.233 1.00 0.00 O
3ATOM 3 C1 QYB 2 -3.872 10.771 -2.384 1.00 0.00 C
4ATOM 4 H1 QYB 2 -2.793 10.801 -2.543 1.00 0.00 H
5ATOM 5 O5 QYB 2 -4.193 11.546 -1.166 1.00 0.00 O
6ATOM 6 C5 QYB 2 -3.887 12.991 -1.219 1.00 0.00 C
7ATOM 7 H5 QYB 2 -2.819 13.106 -1.411 1.00 0.00 H
8ATOM 8 C6 QYB 2 -4.180 13.592 0.160 1.00 0.00 C
9ATOM 9 H62 QYB 2 -3.798 14.613 0.196 1.00 0.00 H
10ATOM 10 H61 QYB 2 -3.681 13.017 0.941 1.00 0.00 H
11ATOM 11 C4 QYB 2 -4.673 13.603 -2.393 1.00 0.00 C
12ATOM 12 H4 QYB 2 -5.745 13.504 -2.199 1.00 0.00 H
13ATOM 13 C3 QYB 2 -4.350 12.896 -3.715 1.00 0.00 C
14ATOM 14 H3 QYB 2 -3.302 13.079 -3.966 1.00 0.00 H
15ATOM 15 C2 QYB 2 -4.610 11.381 -3.596 1.00 0.00 C
16ATOM 16 H2 QYB 2 -5.682 11.229 -3.456 1.00 0.00 H
17ATOM 17 N2 QYB 2 -4.184 10.707 -4.829 1.00 0.00 N
18ATOM 18 H2N QYB 2 -3.188 10.681 -4.997 1.00 0.00 H
19ATOM 19 C2N QYB 2 -5.010 10.168 -5.745 1.00 0.00 C
20ATOM 20 O2N QYB 2 -6.238 10.157 -5.645 1.00 0.00 O
21ATOM 21 CME QYB 2 -4.307 9.555 -6.971 1.00 0.00 C
22ATOM 22 H3M QYB 2 -3.609 8.780 -6.651 1.00 0.00 H
23ATOM 23 H2M QYB 2 -5.042 9.110 -7.644 1.00 0.00 H
24ATOM 24 H1M QYB 2 -3.763 10.331 -7.511 1.00 0.00 H
25ATOM 25 O6 QYB 2 -5.630 13.603 0.407 1.00 0.00 O
26ATOM 26 O4 QYB 2 -4.303 15.024 -2.519 1.00 0.00 O
27ATOM 27 O3 QYB 2 -5.231 13.475 -4.749 1.00 0.00 O
28ATOM 28 S1 SO3 3 -6.290 14.467 1.578 1.00 0.00 S
29ATOM 29 O1 SO3 3 -5.931 15.839 1.326 1.00 0.00 O
30ATOM 30 O2 SO3 3 -5.738 13.962 2.810 1.00 0.00 O
31ATOM 31 O3 SO3 3 -7.707 14.238 1.470 1.00 0.00 O
32ATOM 32 C1 3LB 4 -5.368 15.977 -2.169 1.00 0.00 C
33ATOM 33 H1 3LB 4 -5.785 15.706 -1.200 1.00 0.00 H
34ATOM 34 O5 3LB 4 -6.452 15.966 -3.176 1.00 0.00 O
35ATOM 35 C5 3LB 4 -7.556 16.925 -2.942 1.00 0.00 C
36ATOM 36 H5 3LB 4 -7.968 16.736 -1.949 1.00 0.00 H
37ATOM 37 C6 3LB 4 -8.671 16.677 -3.967 1.00 0.00 C
38ATOM 38 H62 3LB 4 -8.309 16.829 -4.984 1.00 0.00 H
39ATOM 39 H61 3LB 4 -9.501 17.363 -3.792 1.00 0.00 H
40ATOM 40 O6 3LB 4 -9.142 15.330 -3.829 1.00 0.00 O
41ATOM 41 H6O 3LB 4 -8.413 14.721 -3.972 1.00 0.00 H
42ATOM 42 C4 3LB 4 -6.973 18.353 -2.951 1.00 0.00 C
43ATOM 43 H4 3LB 4 -7.759 19.068 -2.710 1.00 0.00 H
44ATOM 44 O4 3LB 4 -6.467 18.653 -4.269 1.00 0.00 O
45ATOM 45 H4O 3LB 4 -6.102 19.541 -4.276 1.00 0.00 H
46ATOM 46 C3 3LB 4 -5.825 18.481 -1.930 1.00 0.00 C
47ATOM 47 H3 3LB 4 -6.257 18.393 -0.930 1.00 0.00 H
48ATOM 48 C2 3LB 4 -4.756 17.386 -2.095 1.00 0.00 C
49ATOM 49 H2 3LB 4 -4.167 17.578 -2.993 1.00 0.00 H
50ATOM 50 O2 3LB 4 -3.891 17.430 -0.948 1.00 0.00 O
51ATOM 51 H2O 3LB 4 -3.216 16.752 -1.031 1.00 0.00 H
52ATOM 52 O3 3LB 4 -5.175 19.801 -2.060 1.00 0.00 O
53ATOM 53 S1 SO3 5 -5.584 21.067 -1.173 1.00 0.00 S
54ATOM 54 O1 SO3 5 -5.331 20.696 0.196 1.00 0.00 O
55ATOM 55 O2 SO3 5 -6.978 21.317 -1.436 1.00 0.00 O
56ATOM 56 O3 SO3 5 -4.735 22.140 -1.622 1.00 0.00 O
57ATOM 57 C1 0fA 6 -4.643 13.691 -6.088 1.00 0.00 C
58ATOM 58 H1 0fA 6 -4.171 12.766 -6.419 1.00 0.00 H
59ATOM 59 O5 0fA 6 -3.617 14.763 -6.069 1.00 0.00 O
60ATOM 60 C5 0fA 6 -4.088 16.150 -5.833 1.00 0.00 C
61ATOM 61 H5 0fA 6 -4.582 16.179 -4.865 1.00 0.00 H
62ATOM 62 C6 0fA 6 -2.865 17.063 -5.736 1.00 0.00 C
63ATOM 63 H61 0fA 6 -2.270 17.050 -6.649 1.00 0.00 H
64ATOM 64 H62 0fA 6 -2.212 16.759 -4.916 1.00 0.00 H
65ATOM 65 H63 0fA 6 -3.159 18.097 -5.548 1.00 0.00 H
66ATOM 66 C4 0fA 6 -5.134 16.527 -6.901 1.00 0.00 C
67ATOM 67 H4 0fA 6 -5.539 17.517 -6.688 1.00 0.00 H
68ATOM 68 O4 0fA 6 -4.486 16.555 -8.191 1.00 0.00 O
69ATOM 69 H4O 0fA 6 -5.129 16.783 -8.866 1.00 0.00 H
70ATOM 70 C3 0fA 6 -6.272 15.486 -6.910 1.00 0.00 C
71ATOM 71 H3 0fA 6 -6.795 15.540 -5.955 1.00 0.00 H
72ATOM 72 O3 0fA 6 -7.207 15.820 -7.953 1.00 0.00 O
73ATOM 73 H3O 0fA 6 -7.941 15.201 -7.933 1.00 0.00 H
74ATOM 74 C2 0fA 6 -5.746 14.051 -7.108 1.00 0.00 C
75ATOM 75 H2 0fA 6 -5.338 13.947 -8.115 1.00 0.00 H
76ATOM 76 O2 0fA 6 -6.838 13.124 -6.961 1.00 0.00 O
77ATOM 77 H2O 0fA 6 -7.523 13.333 -7.600 1.00 0.00 H
78TER 78 0fA 6
79END