Ticket #3422: sio44n2.pdb

File sio44n2.pdb, 25.2 KB (added by vlad_gunko@…, 5 years ago)

Added by email2trac

Line 
1REMARK This PDB file was created by CS Chem3D.
2HETATM 1 Si 1 0.000 0.000 0.000 SI
3HETATM 2 O 1 0.000 1.663 0.000 O
4HETATM 3 O 1 -2.665 -2.888 0.000 O
5HETATM 4 O 1 0.047 -0.608 1.537 O
6HETATM 5 Si 1 -4.316 1.614 -0.465 SI
7HETATM 6 Si 1 -2.218 -1.887 -1.239 SI
8HETATM 7 O 1 -3.225 2.164 -1.593 O
9HETATM 8 O 1 -3.654 -1.657 -2.073 O
10HETATM 9 O 1 -1.496 -0.521 -0.561 O
11HETATM 10 O 1 -3.585 1.039 0.890 O
12HETATM 11 O 1 1.071 6.967 -0.625 O
13HETATM 12 Si 1 -6.319 3.127 -4.546 SI
14HETATM 13 Si 1 -4.831 -0.567 -2.524 SI
15HETATM 14 O 1 -4.849 3.774 -4.129 O
16HETATM 15 O 1 -6.298 -1.060 -3.182 O
17HETATM 16 O 1 -5.180 0.409 -1.253 O
18HETATM 17 O 1 -7.438 4.029 -3.740 O
19HETATM 18 O 1 -1.709 7.841 -3.904 O
20HETATM 19 Si 1 -7.264 -0.043 -4.127 SI
21HETATM 20 O 1 -6.648 1.505 -4.233 O
22HETATM 21 Si 1 1.772 -0.524 -2.455 SI
23HETATM 22 Si 1 0.403 2.770 -1.171 SI
24HETATM 23 O 1 1.795 2.356 -1.928 O
25HETATM 24 O 1 1.628 -2.132 -2.900 O
26HETATM 25 O 1 0.576 4.288 -0.547 O
27HETATM 26 O 1 1.341 -0.515 -0.842 O
28HETATM 27 Si 1 -0.689 -0.026 -4.317 SI
29HETATM 28 Si 1 0.111 -2.689 -3.353 SI
30HETATM 29 Si 1 -2.102 1.968 -2.759 SI
31HETATM 30 O 1 -1.050 -2.623 -2.167 O
32HETATM 31 O 1 -0.392 1.049 -5.540 O
33HETATM 32 O 1 -0.423 -1.677 -4.582 O
34HETATM 33 O 1 0.635 0.289 -3.307 O
35HETATM 34 O 1 -0.555 5.860 -2.417 O
36HETATM 35 O 1 -1.799 0.380 -3.141 O
37HETATM 36 Si 1 0.820 5.618 -1.543 SI
38HETATM 37 O 1 -0.757 2.810 -2.336 O
39HETATM 38 O 1 2.124 5.299 -2.510 O
40HETATM 39 Si 1 -5.446 2.213 -7.069 SI
41HETATM 40 Si 1 -3.945 0.110 -5.396 SI
42HETATM 41 Si 1 -3.281 3.952 -4.696 SI
43HETATM 42 O 1 -4.246 0.293 -3.810 O
44HETATM 43 O 1 -3.055 4.014 -6.335 O
45HETATM 44 O 1 -4.883 -0.949 -6.263 O
46HETATM 45 O 1 -4.277 1.584 -6.043 O
47HETATM 46 O 1 -2.633 5.315 -4.034 O
48HETATM 47 O 1 -6.369 3.284 -6.220 O
49HETATM 48 Si 1 -1.260 6.252 -3.863 SI
50HETATM 49 O 1 -2.490 2.603 -4.216 O
51HETATM 50 O 1 -0.155 6.092 -5.080 O
52HETATM 51 Si 1 -6.362 -0.588 -6.959 SI
53HETATM 52 O 1 -7.421 -0.695 -5.686 O
54HETATM 53 O 1 -6.431 0.981 -7.546 O
55HETATM 54 Si 1 2.666 1.951 -3.282 SI
56HETATM 55 O 1 3.722 3.242 -3.387 O
57HETATM 56 O 1 3.140 0.370 -2.856 O
58HETATM 57 Si 1 0.848 2.074 -5.929 SI
59HETATM 58 O 1 2.409 5.031 -5.135 O
60HETATM 59 Si 1 3.197 4.809 -3.676 SI
61HETATM 60 O 1 2.060 1.985 -4.826 O
62HETATM 61 Si 1 -2.865 3.123 -7.724 SI
63HETATM 62 O 1 1.196 5.913 -7.361 O
64HETATM 63 O 1 -4.458 2.834 -8.226 O
65HETATM 64 Si 1 0.935 5.159 -5.888 SI
66HETATM 65 O 1 0.268 3.633 -5.970 O
67HETATM 66 H 1 0.833 -0.384 2.046 H
68HETATM 67 H 1 -2.857 0.431 0.700 H
69HETATM 68 H 1 -8.296 3.599 -3.645 H
70HETATM 69 H 1 1.819 6.910 -0.022 H
71HETATM 70 H 1 -2.398 8.081 -3.276 H
72HETATM 71 O 1 -1.981 1.694 -7.696 O
73HETATM 72 O 1 -6.529 -1.468 -8.355 O
74HETATM 73 O 1 -2.391 -0.488 -5.516 O
75HETATM 74 O 1 0.327 -4.228 -3.888 O
76HETATM 75 O 1 -8.766 0.086 -3.458 O
77HETATM 76 H 1 -9.091 -0.706 -3.018 H
78HETATM 77 H 1 -2.259 -0.992 -6.348 H
79HETATM 78 H 1 -0.479 -4.751 -3.959 H
80HETATM 79 O 1 4.575 5.716 -3.665 O
81HETATM 80 O 1 1.392 1.694 -7.466 O
82HETATM 81 H 1 -2.008 -2.965 0.700 H
83HETATM 82 H 1 4.505 6.547 -4.145 H
84HETATM 83 O 1 -5.329 2.824 0.002 O
85HETATM 84 H 1 -5.701 3.344 -0.718 H
86HETATM 85 O 1 -2.085 4.074 -8.808 O
87HETATM 86 H 1 -2.609 4.792 -9.179 H
88HETATM 87 Si 1 1.222 -1.106 -7.661 SI
89HETATM 88 O 1 0.290 -5.280 -8.458 O
90HETATM 89 O 1 1.676 -0.804 -6.110 O
91HETATM 90 Si 1 -1.596 0.333 -8.552 SI
92HETATM 91 Si 1 0.025 -3.688 -8.806 SI
93HETATM 92 O 1 -2.003 0.561 -10.145 O
94HETATM 93 O 1 -1.635 -3.500 -8.740 O
95HETATM 94 O 1 0.784 -2.717 -7.702 O
96HETATM 95 O 1 -0.073 -0.281 -8.319 O
97HETATM 96 Si 1 -5.063 1.598 -10.678 SI
98HETATM 97 Si 1 -2.634 -2.288 -9.270 SI
99HETATM 98 O 1 -3.837 2.745 -10.769 O
100HETATM 99 O 1 -4.270 -2.520 -9.307 O
101HETATM 100 O 1 -2.505 -1.016 -8.157 O
102HETATM 101 O 1 -6.451 2.315 -10.135 O
103HETATM 102 O 1 -0.585 6.778 -12.416 O
104HETATM 103 Si 1 -5.446 -1.376 -9.645 SI
105HETATM 104 O 1 -4.805 0.171 -9.783 O
106HETATM 105 Si 1 3.177 -0.732 -10.056 SI
107HETATM 106 Si 1 1.235 2.319 -8.998 SI
108HETATM 107 O 1 2.685 2.268 -9.725 O
109HETATM 108 O 1 3.281 -2.297 -10.643 O
110HETATM 109 O 1 0.666 3.820 -8.794 O
111HETATM 110 O 1 2.597 -0.801 -8.529 O
112HETATM 111 Si 1 1.289 -0.466 -12.447 SI
113HETATM 112 Si 1 1.953 -3.082 -11.318 SI
114HETATM 113 Si 1 -0.884 1.156 -11.201 SI
115HETATM 114 O 1 0.661 -3.259 -10.292 O
116HETATM 115 O 1 2.050 0.287 -13.696 O
117HETATM 116 O 1 1.334 -2.127 -12.575 O
118HETATM 117 O 1 2.020 -0.057 -11.031 O
119HETATM 118 O 1 0.117 6.098 -9.930 O
120HETATM 119 O 1 -0.272 0.046 -12.271 O
121HETATM 120 Si 1 1.230 5.345 -8.920 SI
122HETATM 121 O 1 0.210 1.707 -10.120 O
123HETATM 122 O 1 2.790 5.305 -9.498 O
124HETATM 123 Si 1 -4.519 0.219 -13.374 SI
125HETATM 124 Si 1 -2.673 -1.990 -12.354 SI
126HETATM 125 Si 1 -2.784 3.391 -11.875 SI
127HETATM 126 O 1 -2.087 -1.998 -10.799 O
128HETATM 127 O 1 -3.518 3.563 -13.344 O
129HETATM 128 O 1 -4.075 -2.895 -12.415 O
130HETATM 129 O 1 -3.107 -0.422 -12.748 O
131HETATM 130 O 1 -2.084 4.828 -11.352 O
132HETATM 131 O 1 -5.295 1.133 -12.246 O
133HETATM 132 Si 1 -0.535 5.492 -11.349 SI
134HETATM 133 O 1 -1.544 2.311 -12.160 O
135HETATM 134 O 1 0.548 4.363 -11.895 O
136HETATM 135 Si 1 -5.633 -2.320 -12.567 SI
137HETATM 136 O 1 -6.172 -1.784 -11.074 O
138HETATM 137 O 1 -5.534 -1.067 -13.683 O
139HETATM 138 Si 1 3.995 1.908 -10.649 SI
140HETATM 139 O 1 4.806 3.347 -10.379 O
141HETATM 140 O 1 4.456 0.352 -10.142 O
142HETATM 141 Si 1 2.949 1.708 -13.676 SI
143HETATM 142 O 1 3.230 4.698 -12.077 O
144HETATM 143 Si 1 3.961 4.817 -10.590 SI
145HETATM 144 O 1 3.850 1.749 -12.286 O
146HETATM 145 Si 1 -3.349 2.671 -14.770 SI
147HETATM 146 O 1 1.598 5.660 -14.054 O
148HETATM 147 O 1 -4.171 1.201 -14.645 O
149HETATM 148 Si 1 1.840 4.467 -12.947 SI
150HETATM 149 O 1 1.922 2.995 -13.708 O
151HETATM 150 H 1 1.179 -1.372 -5.502 H
152HETATM 151 H 1 -6.948 1.760 -9.522 H
153HETATM 152 H 1 -1.431 6.891 -12.865 H
154HETATM 153 O 1 -1.751 2.456 -15.105 O
155HETATM 154 O 1 -6.701 -3.468 -13.055 O
156HETATM 155 O 1 -1.568 -2.660 -13.367 O
157HETATM 156 O 1 2.522 -4.518 -11.878 O
158HETATM 157 H 1 -1.210 2.247 -14.332 H
159HETATM 158 H 1 -6.582 -3.779 -13.958 H
160HETATM 159 H 1 -0.639 -2.527 -13.125 H
161HETATM 160 H 1 1.852 -5.155 -12.146 H
162HETATM 161 O 1 5.102 6.004 -10.526 O
163HETATM 162 O 1 3.905 1.754 -15.014 O
164HETATM 163 H 1 1.134 -5.461 -8.032 H
165HETATM 164 H 1 0.957 6.323 -13.752 H
166HETATM 165 H 1 5.959 5.743 -10.877 H
167HETATM 166 H 1 4.357 0.933 -15.234 H
168HETATM 167 O 1 -4.030 3.508 -16.016 O
169HETATM 168 H 1 -4.911 3.211 -16.263 H
170HETATM 169 N 2 -7.795 2.033 -1.868 N
171HETATM 170 N 2 -7.395 1.832 -2.848 N
172HETATM 171 N 3 -0.882 8.635 -0.703 N
173HETATM 172 N 3 0.104 8.221 -0.831 N
174HETATM 173 N 4 -3.396 -2.401 -4.714 N
175HETATM 174 N 4 -3.816 -2.459 -5.704 N
176HETATM 175 N 5 -2.389 -5.767 -7.935 N
177HETATM 176 N 5 -2.387 -4.740 -7.610 N
178HETATM 177 N 6 -2.361 -4.814 -1.720 N
179HETATM 178 N 6 -1.555 -4.175 -1.400 N
180HETATM 179 N 7 6.086 -0.787 -4.914 N
181HETATM 180 N 7 5.679 -1.751 -5.173 N
182HETATM 181 N 8 1.178 7.858 -11.278 N
183HETATM 182 N 8 2.083 8.383 -11.531 N
184HETATM 183 N 9 -3.501 -5.192 -10.880 N
185HETATM 184 N 9 -3.415 -5.501 -9.852 N
186HETATM 185 N 10 -4.190 -7.566 -11.885 N
187HETATM 186 N 10 -3.942 -6.560 -11.593 N
188HETATM 187 N 11 -5.404 -3.174 -6.926 N
189HETATM 188 N 11 -5.798 -4.072 -7.370 N
190HETATM 189 N 12 -4.954 -4.578 -3.105 N
191HETATM 190 N 12 -3.958 -4.547 -2.698 N
192HETATM 191 N 13 0.296 8.852 -4.769 N
193HETATM 192 N 13 1.283 9.219 -4.544 N
194HETATM 193 N 14 -8.392 2.958 -13.487 N
195HETATM 194 N 14 -7.629 3.158 -14.221 N
196HETATM 195 N 15 6.759 0.144 -2.277 N
197HETATM 196 N 15 7.017 -0.323 -3.213 N
198HETATM 197 N 16 6.509 -1.198 -12.783 N
199HETATM 198 N 16 5.891 -0.405 -12.396 N
200HETATM 199 N 17 4.729 -3.198 -12.979 N
201HETATM 200 N 17 5.490 -2.452 -12.824 N
202HETATM 201 N 18 6.993 0.523 -14.679 N
203HETATM 202 N 18 6.771 -0.215 -13.926 N
204HETATM 203 N 19 1.967 9.162 -1.329 N
205HETATM 204 N 19 2.781 8.551 -0.976 N
206HETATM 205 N 20 6.225 3.135 -12.357 N
207HETATM 206 N 20 5.909 2.747 -13.311 N
208HETATM 207 N 21 -7.701 0.378 -12.572 N
209HETATM 208 N 21 -8.410 0.379 -11.761 N
210HETATM 209 N 22 -4.527 -6.725 -4.682 N
211HETATM 210 N 22 -3.496 -7.015 -4.563 N
212HETATM 211 N 23 3.965 7.675 -12.037 N
213HETATM 212 N 23 5.033 7.814 -12.040 N
214HETATM 213 N 24 -2.084 6.043 -0.418 N
215HETATM 214 N 24 -2.914 6.063 0.268 N
216HETATM 215 N 25 -0.656 4.649 -14.173 N
217HETATM 216 N 25 0.202 4.000 -14.224 N
218HETATM 217 N 26 -0.711 -6.120 -13.798 N
219HETATM 218 N 26 0.051 -5.777 -14.477 N
220HETATM 219 N 27 3.207 0.151 0.649 N
221HETATM 220 N 27 3.366 -0.034 -0.400 N
222HETATM 221 N 28 5.986 2.665 0.028 N
223HETATM 222 N 28 5.985 1.833 0.712 N
224HETATM 223 N 29 4.555 5.483 -1.323 N
225HETATM 224 N 29 5.190 5.052 -0.567 N
226HETATM 225 N 30 -3.983 -8.147 -7.064 N
227HETATM 226 N 30 -4.904 -8.426 -7.548 N
228HETATM 227 N 31 -7.459 -3.263 -2.025 N
229HETATM 228 N 31 -6.406 -3.465 -2.122 N
230HETATM 229 N 32 4.546 5.006 -14.210 N
231HETATM 230 N 32 3.833 4.203 -14.132 N
232HETATM 231 N 33 7.846 1.345 -8.052 N
233HETATM 232 N 33 6.843 1.132 -8.383 N
234HETATM 233 N 34 2.878 10.136 -4.495 N
235HETATM 234 N 34 3.481 9.849 -3.650 N
236HETATM 235 N 35 -5.034 -4.267 0.592 N
237HETATM 236 N 35 -5.520 -5.027 0.002 N
238HETATM 237 N 36 3.908 -2.577 1.644 N
239HETATM 238 N 36 4.259 -3.005 0.720 N
240HETATM 239 N 37 2.299 -4.750 -14.525 N
241HETATM 240 N 37 2.206 -4.653 -15.593 N
242HETATM 241 N 38 3.981 7.505 -14.934 N
243HETATM 242 N 38 4.799 7.793 -15.572 N
244HETATM 243 N 39 -6.533 0.203 0.761 N
245HETATM 244 N 39 -7.497 0.627 0.534 N
246HETATM 245 N 40 -2.927 -5.981 -15.305 N
247HETATM 246 N 40 -2.572 -5.568 -16.234 N
248HETATM 247 N 41 3.134 5.993 1.833 N
249HETATM 248 N 41 2.528 5.127 1.626 N
250CONECT 1 2 26 9 4
251CONECT 2 1 22
252CONECT 3 81 6
253CONECT 4 1 66
254CONECT 5 7 16 83 10
255CONECT 6 3 8 9 30
256CONECT 7 5 29
257CONECT 8 6 13
258CONECT 9 1 6
259CONECT 10 5 67
260CONECT 11 69 36
261CONECT 12 14 47 20 17
262CONECT 13 8 15 16 42
263CONECT 14 12 41
264CONECT 15 13 19
265CONECT 16 5 13
266CONECT 17 12 68
267CONECT 18 70 48
268CONECT 19 15 20 52 75
269CONECT 20 12 19
270CONECT 21 24 26 56 33
271CONECT 22 2 23 25 37
272CONECT 23 22 54
273CONECT 24 21 28
274CONECT 25 22 36
275CONECT 26 1 21
276CONECT 27 31 32 33 35
277CONECT 28 24 32 30 74
278CONECT 29 7 37 49 35
279CONECT 30 6 28
280CONECT 31 27 57
281CONECT 32 27 28
282CONECT 33 21 27
283CONECT 34 36 48
284CONECT 35 27 29
285CONECT 36 11 25 34 38
286CONECT 37 22 29
287CONECT 38 36 59
288CONECT 39 45 47 63 53
289CONECT 40 42 44 45 73
290CONECT 41 14 43 46 49
291CONECT 42 13 40
292CONECT 43 41 61
293CONECT 44 40 51
294CONECT 45 39 40
295CONECT 46 41 48
296CONECT 47 12 39
297CONECT 48 18 34 46 50
298CONECT 49 29 41
299CONECT 50 48 64
300CONECT 51 44 52 53 72
301CONECT 52 19 51
302CONECT 53 39 51
303CONECT 54 23 55 60 56
304CONECT 55 54 59
305CONECT 56 21 54
306CONECT 57 31 60 65 80
307CONECT 58 59 64
308CONECT 59 38 55 58 79
309CONECT 60 54 57
310CONECT 61 43 71 63 85
311CONECT 62 64 120
312CONECT 63 39 61
313CONECT 64 50 58 62 65
314CONECT 65 57 64
315CONECT 66 4
316CONECT 67 10
317CONECT 68 17
318CONECT 69 11
319CONECT 70 18
320CONECT 71 61 90
321CONECT 72 51 103
322CONECT 73 40 77
323CONECT 74 28 78
324CONECT 75 19 76
325CONECT 76 75
326CONECT 77 73
327CONECT 78 74
328CONECT 79 59 82
329CONECT 80 57 106
330CONECT 81 3
331CONECT 82 79
332CONECT 83 5 84
333CONECT 84 83
334CONECT 85 61 86
335CONECT 86 85
336CONECT 87 94 95 110 89
337CONECT 88 163 91
338CONECT 89 87 150
339CONECT 90 71 92 95 100
340CONECT 91 88 93 94 114
341CONECT 92 90 113
342CONECT 93 91 97
343CONECT 94 87 91
344CONECT 95 87 90
345CONECT 96 98 131 104 101
346CONECT 97 93 99 100 126
347CONECT 98 96 125
348CONECT 99 97 103
349CONECT 100 90 97
350CONECT 101 96 151
351CONECT 102 152 132
352CONECT 103 72 99 104 136
353CONECT 104 96 103
354CONECT 105 108 140 117 110
355CONECT 106 80 107 109 121
356CONECT 107 106 138
357CONECT 108 105 112
358CONECT 109 106 120
359CONECT 110 87 105
360CONECT 111 115 117 119 116
361CONECT 112 108 114 116 156
362CONECT 113 92 119 121 133
363CONECT 114 91 112
364CONECT 115 111 141
365CONECT 116 111 112
366CONECT 117 105 111
367CONECT 118 120 132
368CONECT 119 111 113
369CONECT 120 62 109 118 122
370CONECT 121 106 113
371CONECT 122 120 143
372CONECT 123 129 131 147 137
373CONECT 124 128 129 126 155
374CONECT 125 98 127 130 133
375CONECT 126 97 124
376CONECT 127 125 145
377CONECT 128 124 135
378CONECT 129 123 124
379CONECT 130 125 132
380CONECT 131 96 123
381CONECT 132 102 118 130 134
382CONECT 133 113 125
383CONECT 134 132 148
384CONECT 135 128 136 137 154
385CONECT 136 103 135
386CONECT 137 123 135
387CONECT 138 107 139 144 140
388CONECT 139 138 143
389CONECT 140 105 138
390CONECT 141 115 144 149 162
391CONECT 142 143 148
392CONECT 143 122 139 142 161
393CONECT 144 138 141
394CONECT 145 127 147 167 153
395CONECT 146 164 148
396CONECT 147 123 145
397CONECT 148 134 142 146 149
398CONECT 149 141 148
399CONECT 150 89
400CONECT 151 101
401CONECT 152 102
402CONECT 153 145 157
403CONECT 154 135 158
404CONECT 155 124 159
405CONECT 156 112 160
406CONECT 157 153
407CONECT 158 154
408CONECT 159 155
409CONECT 160 156
410CONECT 161 143 165
411CONECT 162 141 166
412CONECT 163 88
413CONECT 164 146
414CONECT 165 161
415CONECT 166 162
416CONECT 167 145 168
417CONECT 168 167
418CONECT 169 170
419CONECT 170 169
420CONECT 171 172
421CONECT 172 171
422CONECT 173 174
423CONECT 174 173
424CONECT 175 176
425CONECT 176 175
426CONECT 177 178
427CONECT 178 177
428CONECT 179 180
429CONECT 180 179
430CONECT 181 182
431CONECT 182 181
432CONECT 183 184
433CONECT 184 183
434CONECT 185 186
435CONECT 186 185
436CONECT 187 188
437CONECT 188 187
438CONECT 189 190
439CONECT 190 189
440CONECT 191 192
441CONECT 192 191
442CONECT 193 194
443CONECT 194 193
444CONECT 195 196
445CONECT 196 195
446CONECT 197 198
447CONECT 198 197
448CONECT 199 200
449CONECT 200 199
450CONECT 201 202
451CONECT 202 201
452CONECT 203 204
453CONECT 204 203
454CONECT 205 206
455CONECT 206 205
456CONECT 207 208
457CONECT 208 207
458CONECT 209 210
459CONECT 210 209
460CONECT 211 212
461CONECT 212 211
462CONECT 213 214
463CONECT 214 213
464CONECT 215 216
465CONECT 216 215
466CONECT 217 218
467CONECT 218 217
468CONECT 219 220
469CONECT 220 219
470CONECT 221 222
471CONECT 222 221
472CONECT 223 224
473CONECT 224 223
474CONECT 225 226
475CONECT 226 225
476CONECT 227 228
477CONECT 228 227
478CONECT 229 230
479CONECT 230 229
480CONECT 231 232
481CONECT 232 231
482CONECT 233 234
483CONECT 234 233
484CONECT 235 236
485CONECT 236 235
486CONECT 237 238
487CONECT 238 237
488CONECT 239 240
489CONECT 240 239
490CONECT 241 242
491CONECT 242 241
492CONECT 243 244
493CONECT 244 243
494CONECT 245 246
495CONECT 246 245
496CONECT 247 248
497CONECT 248 247
498END