Ticket #18010: 1.pdb

File 1.pdb, 18.7 KB (added by arshadkhanbaloch214@…, 4 months ago)

Added by email2trac

Line 
1REMARK This PDB file was created by CS Chem3D.
2HETATM 1 C 1 5.390 -6.013 1.588 C
3HETATM 2 O 1 6.524 -6.419 1.625 O
4HETATM 3 N 1 4.515 -8.298 1.686 N
5HETATM 4 C 1 4.206 -6.918 1.283 C
6HETATM 5 C 1 3.922 -2.580 1.863 C
7HETATM 6 O 1 4.995 -2.032 1.856 O
8HETATM 7 N 1 5.119 -4.689 1.796 N
9HETATM 8 C 1 3.780 -4.096 1.811 C
10HETATM 9 C 1 0.706 -1.853 3.216 C
11HETATM 10 O 1 0.931 -0.773 3.700 O
12HETATM 11 N 1 2.772 -1.842 1.905 N
13HETATM 12 C 1 1.401 -2.365 1.957 C
14HETATM 13 C 1 -2.315 -3.973 3.500 C
15HETATM 14 O 1 -2.827 -4.975 3.932 O
16HETATM 15 N 1 -0.224 -2.665 3.803 N
17HETATM 16 C 1 -0.807 -3.874 3.216 C
18HETATM 17 C 1 -0.005 -5.087 3.733 C
19HETATM 18 C 1 -0.035 -6.303 2.792 C
20HETATM 19 C 1 0.826 -7.453 3.341 C
21HETATM 20 C 1 0.949 -8.616 2.347 C
22HETATM 21 N 1 1.874 -9.639 2.863 N
23HETATM 22 C 1 -2.935 -0.541 3.861 C
24HETATM 23 O 1 -3.957 0.084 4.009 O
25HETATM 24 N 1 -3.118 -2.892 3.237 N
26HETATM 25 C 1 -2.749 -1.560 2.731 C
27HETATM 26 C 1 -3.620 -1.200 1.509 C
28HETATM 27 C 1 -3.448 -2.121 0.283 C
29HETATM 28 C 1 -4.442 -1.716 -0.822 C
30HETATM 29 C 1 -2.021 -2.086 -0.284 C
31HETATM 30 C 1 -0.588 1.219 6.062 C
32HETATM 31 O 1 0.187 1.102 6.978 O
33HETATM 32 N 1 -1.861 -0.409 4.700 N
34HETATM 33 C 1 -1.879 0.400 5.927 C
35HETATM 34 C 1 -2.163 -0.509 7.148 C
36HETATM 35 C 1 -3.636 -0.960 7.185 C
37HETATM 36 C 1 -1.254 -1.750 7.193 C
38HETATM 37 C 1 -0.303 2.410 2.652 C
39HETATM 38 O 1 -0.715 1.934 1.622 O
40HETATM 39 N 1 -0.314 2.152 5.098 N
41HETATM 40 C 1 -1.135 2.488 3.926 C
42HETATM 41 C 1 -1.730 3.898 4.083 C
43HETATM 42 C 1 -2.460 4.389 2.848 C
44HETATM 43 C 1 -2.204 5.608 2.338 C
45HETATM 44 C 1 -2.867 6.063 1.264 C
46HETATM 45 C 1 -3.788 5.294 0.664 C
47HETATM 46 C 1 -4.047 4.073 1.154 C
48HETATM 47 C 1 -3.394 3.634 2.241 C
49HETATM 48 C 1 1.488 3.470 0.361 C
50HETATM 49 O 1 2.139 3.421 -0.654 O
51HETATM 50 N 1 0.946 2.957 2.761 N
52HETATM 51 C 1 1.943 2.852 1.684 C
53HETATM 52 C 1 2.383 1.381 1.589 C
54HETATM 53 C 1 3.401 1.011 0.538 C
55HETATM 54 C 1 3.115 0.094 -0.404 C
56HETATM 55 C 1 4.035 -0.279 -1.306 C
57HETATM 56 C 1 5.258 0.271 -1.282 C
58HETATM 57 C 1 5.553 1.192 -0.353 C
59HETATM 58 C 1 4.631 1.553 0.553 C
60HETATM 59 C 1 -0.397 3.560 -1.923 C
61HETATM 60 O 1 -0.352 3.842 -3.092 O
62HETATM 61 N 1 0.251 4.054 0.389 N
63HETATM 62 C 1 -0.355 4.615 -0.821 C
64HETATM 63 C 1 0.293 5.944 -1.262 C
65HETATM 64 S 1 0.432 7.064 0.168 S
66HETATM 65 C 1 0.831 1.281 -3.360 C
67HETATM 66 O 1 0.757 1.160 -4.557 O
68HETATM 67 N 1 -0.422 2.265 -1.480 N
69HETATM 68 C 1 -0.362 1.130 -2.414 C
70HETATM 69 C 1 -1.726 0.914 -3.095 C
71HETATM 70 C 1 -1.877 -0.449 -3.791 C
72HETATM 71 C 1 -3.242 -0.591 -4.480 C
73HETATM 72 N 1 -3.388 -1.959 -5.023 N
74HETATM 73 C 1 -4.372 -2.381 -5.704 C
75HETATM 74 N 1 -4.391 -3.574 -6.124 N
76HETATM 75 N 1 -5.347 -1.613 -5.962 N
77HETATM 76 C 1 2.940 3.092 -4.482 C
78HETATM 77 O 1 3.328 3.084 -5.622 O
79HETATM 78 N 1 2.000 1.637 -2.746 N
80HETATM 79 C 1 3.206 1.951 -3.515 C
81HETATM 80 C 1 0.902 4.834 -5.972 C
82HETATM 81 O 1 0.790 5.493 -6.975 O
83HETATM 82 N 1 2.183 4.110 -3.971 N
84HETATM 83 C 1 1.774 5.263 -4.791 C
85HETATM 84 C 1 2.946 6.193 -5.162 C
86HETATM 85 C 1 2.584 7.526 -5.799 C
87HETATM 86 O 1 3.231 8.127 -6.623 O
88HETATM 87 O 1 1.434 8.030 -5.310 O
89HETATM 88 C 1 0.176 2.326 -7.883 C
90HETATM 89 O 1 -0.177 2.248 -9.040 O
91HETATM 90 N 1 0.257 3.644 -5.784 N
92HETATM 91 C 1 -0.623 3.010 -6.773 C
93HETATM 92 C 1 -1.774 3.922 -7.247 C
94HETATM 93 S 1 -3.230 2.922 -7.707 S
95HETATM 94 O 1 1.319 1.786 -7.404 O
96HETATM 95 H 1 4.019 -8.975 1.079 H
97HETATM 96 H 1 5.521 -8.498 1.546 H
98HETATM 97 H 1 3.277 -6.606 1.806 H
99HETATM 98 H 1 4.026 -6.890 0.183 H
100HETATM 99 H 1 5.913 -4.067 1.956 H
101HETATM 100 H 1 3.237 -4.370 0.877 H
102HETATM 101 H 1 3.247 -4.445 2.726 H
103HETATM 102 H 1 2.906 -0.831 1.926 H
104HETATM 103 H 1 0.850 -1.957 1.080 H
105HETATM 104 H 1 1.383 -3.468 1.881 H
106HETATM 105 H 1 -0.543 -2.367 4.724 H
107HETATM 106 H 1 -0.755 -3.838 2.105 H
108HETATM 107 H 1 1.064 -4.789 3.850 H
109HETATM 108 H 1 -0.346 -5.367 4.756 H
110HETATM 109 H 1 -1.082 -6.654 2.643 H
111HETATM 110 H 1 0.360 -5.997 1.794 H
112HETATM 111 H 1 1.847 -7.073 3.581 H
113HETATM 112 H 1 0.386 -7.825 4.297 H
114HETATM 113 H 1 -0.049 -9.079 2.164 H
115HETATM 114 H 1 1.341 -8.251 1.369 H
116HETATM 115 H 1 2.014 -10.387 2.162 H
117HETATM 116 H 1 2.814 -9.232 3.015 H
118HETATM 117 H 1 -4.101 -3.051 3.458 H
119HETATM 118 H 1 -1.695 -1.497 2.393 H
120HETATM 119 H 1 -4.693 -1.231 1.815 H
121HETATM 120 H 1 -3.397 -0.151 1.200 H
122HETATM 121 H 1 -3.680 -3.172 0.588 H
123HETATM 122 H 1 -4.356 -2.383 -1.710 H
124HETATM 123 H 1 -5.495 -1.777 -0.464 H
125HETATM 124 H 1 -4.257 -0.672 -1.163 H
126HETATM 125 H 1 -1.941 -2.698 -1.210 H
127HETATM 126 H 1 -1.281 -2.509 0.425 H
128HETATM 127 H 1 -1.710 -1.044 -0.520 H
129HETATM 128 H 1 -0.997 -0.904 4.484 H
130HETATM 129 H 1 -2.684 1.174 5.903 H
131HETATM 130 H 1 -1.991 0.091 8.078 H
132HETATM 131 H 1 -3.851 -1.551 8.105 H
133HETATM 132 H 1 -4.330 -0.090 7.181 H
134HETATM 133 H 1 -3.889 -1.603 6.312 H
135HETATM 134 H 1 -1.374 -2.297 8.156 H
136HETATM 135 H 1 -0.177 -1.491 7.092 H
137HETATM 136 H 1 -1.504 -2.467 6.379 H
138HETATM 137 H 1 0.550 2.670 5.259 H
139HETATM 138 H 1 -1.966 1.770 3.792 H
140HETATM 139 H 1 -2.447 3.907 4.938 H
141HETATM 140 H 1 -0.905 4.598 4.351 H
142HETATM 141 H 1 -1.451 6.258 2.813 H
143HETATM 142 H 1 -2.655 7.070 0.868 H
144HETATM 143 H 1 -4.329 5.664 -0.222 H
145HETATM 144 H 1 -4.807 3.436 0.670 H
146HETATM 145 H 1 -3.648 2.637 2.633 H
147HETATM 146 H 1 1.233 3.354 3.655 H
148HETATM 147 H 1 2.816 3.474 1.998 H
149HETATM 148 H 1 2.808 1.080 2.576 H
150HETATM 149 H 1 1.480 0.748 1.437 H
151HETATM 150 H 1 2.119 -0.375 -0.445 H
152HETATM 151 H 1 3.786 -1.037 -2.067 H
153HETATM 152 H 1 6.016 -0.032 -2.023 H
154HETATM 153 H 1 6.559 1.645 -0.327 H
155HETATM 154 H 1 4.894 2.296 1.323 H
156HETATM 155 H 1 -0.311 4.033 1.243 H
157HETATM 156 H 1 -1.429 4.803 -0.586 H
158HETATM 157 H 1 1.311 5.762 -1.675 H
159HETATM 158 H 1 -0.316 6.425 -2.062 H
160HETATM 159 H 1 0.961 8.099 -0.509 H
161HETATM 160 H 1 -0.500 2.084 -0.476 H
162HETATM 161 H 1 -0.133 0.229 -1.795 H
163HETATM 162 H 1 -2.524 0.995 -2.318 H
164HETATM 163 H 1 -1.912 1.731 -3.830 H
165HETATM 164 H 1 -1.077 -0.602 -4.551 H
166HETATM 165 H 1 -1.760 -1.260 -3.037 H
167HETATM 166 H 1 -4.057 -0.401 -3.742 H
168HETATM 167 H 1 -3.320 0.159 -5.303 H
169HETATM 168 H 1 -2.619 -2.654 -4.850 H
170HETATM 169 H 1 -5.242 -3.768 -6.655 H
171HETATM 170 H 1 -6.166 -1.956 -6.523 H
172HETATM 171 H 1 -5.364 -0.617 -5.634 H
173HETATM 172 H 1 2.046 1.699 -1.728 H
174HETATM 173 H 1 4.002 2.288 -2.812 H
175HETATM 174 H 1 3.568 1.045 -4.052 H
176HETATM 175 H 1 1.819 4.028 -3.016 H
177HETATM 176 H 1 1.081 5.849 -4.140 H
178HETATM 177 H 1 3.524 6.430 -4.237 H
179HETATM 178 H 1 3.642 5.667 -5.854 H
180HETATM 179 H 1 1.232 8.850 -5.789 H
181HETATM 180 H 1 0.411 3.147 -4.906 H
182HETATM 181 H 1 -1.083 2.159 -6.212 H
183HETATM 182 H 1 -2.073 4.607 -6.419 H
184HETATM 183 H 1 -1.453 4.555 -8.105 H
185HETATM 184 H 1 -3.910 3.920 -8.297 H
186HETATM 185 H 1 1.478 1.956 -6.462 H
187CONECT 1 2 4 7
188CONECT 2 1
189CONECT 3 4 95 96
190CONECT 4 1 3 97 98
191CONECT 5 6 8 11
192CONECT 6 5
193CONECT 7 1 8 99
194CONECT 8 5 7 100 101
195CONECT 9 10 12 15
196CONECT 10 9
197CONECT 11 5 12 102
198CONECT 12 9 11 103 104
199CONECT 13 14 16 24
200CONECT 14 13
201CONECT 15 9 16 105
202CONECT 16 13 15 17 106
203CONECT 17 16 18 107 108
204CONECT 18 17 19 109 110
205CONECT 19 18 20 111 112
206CONECT 20 19 21 113 114
207CONECT 21 20 115 116
208CONECT 22 23 25 32
209CONECT 23 22
210CONECT 24 13 25 117
211CONECT 25 22 24 26 118
212CONECT 26 25 27 119 120
213CONECT 27 26 28 29 121
214CONECT 28 27 122 123 124
215CONECT 29 27 125 126 127
216CONECT 30 31 33 39
217CONECT 31 30
218CONECT 32 22 33 128
219CONECT 33 30 32 34 129
220CONECT 34 33 35 36 130
221CONECT 35 34 131 132 133
222CONECT 36 34 134 135 136
223CONECT 37 38 40 50
224CONECT 38 37
225CONECT 39 30 40 137
226CONECT 40 37 39 41 138
227CONECT 41 40 42 139 140
228CONECT 42 41 43 47
229CONECT 43 42 44 141
230CONECT 44 43 45 142
231CONECT 45 44 46 143
232CONECT 46 45 47 144
233CONECT 47 42 46 145
234CONECT 48 49 51 61
235CONECT 49 48
236CONECT 50 37 51 146
237CONECT 51 48 50 52 147
238CONECT 52 51 53 148 149
239CONECT 53 52 54 58
240CONECT 54 53 55 150
241CONECT 55 54 56 151
242CONECT 56 55 57 152
243CONECT 57 56 58 153
244CONECT 58 53 57 154
245CONECT 59 60 62 67
246CONECT 60 59
247CONECT 61 48 62 155
248CONECT 62 59 61 63 156
249CONECT 63 62 64 157 158
250CONECT 64 63 159
251CONECT 65 66 68 78
252CONECT 66 65
253CONECT 67 59 68 160
254CONECT 68 65 67 69 161
255CONECT 69 68 70 162 163
256CONECT 70 69 71 164 165
257CONECT 71 70 72 166 167
258CONECT 72 71 73 168
259CONECT 73 72 74 75
260CONECT 74 73 169
261CONECT 75 73 170 171
262CONECT 76 77 79 82
263CONECT 77 76
264CONECT 78 65 79 172
265CONECT 79 76 78 173 174
266CONECT 80 81 83 90
267CONECT 81 80
268CONECT 82 76 83 175
269CONECT 83 80 82 84 176
270CONECT 84 83 85 177 178
271CONECT 85 84 86 87
272CONECT 86 85
273CONECT 87 85 179
274CONECT 88 89 91 94
275CONECT 89 88
276CONECT 90 80 91 180
277CONECT 91 88 90 92 181
278CONECT 92 91 93 182 183
279CONECT 93 92 184
280CONECT 94 88 185
281CONECT 95 3
282CONECT 96 3
283CONECT 97 4
284CONECT 98 4
285CONECT 99 7
286CONECT 100 8
287CONECT 101 8
288CONECT 102 11
289CONECT 103 12
290CONECT 104 12
291CONECT 105 15
292CONECT 106 16
293CONECT 107 17
294CONECT 108 17
295CONECT 109 18
296CONECT 110 18
297CONECT 111 19
298CONECT 112 19
299CONECT 113 20
300CONECT 114 20
301CONECT 115 21
302CONECT 116 21
303CONECT 117 24
304CONECT 118 25
305CONECT 119 26
306CONECT 120 26
307CONECT 121 27
308CONECT 122 28
309CONECT 123 28
310CONECT 124 28
311CONECT 125 29
312CONECT 126 29
313CONECT 127 29
314CONECT 128 32
315CONECT 129 33
316CONECT 130 34
317CONECT 131 35
318CONECT 132 35
319CONECT 133 35
320CONECT 134 36
321CONECT 135 36
322CONECT 136 36
323CONECT 137 39
324CONECT 138 40
325CONECT 139 41
326CONECT 140 41
327CONECT 141 43
328CONECT 142 44
329CONECT 143 45
330CONECT 144 46
331CONECT 145 47
332CONECT 146 50
333CONECT 147 51
334CONECT 148 52
335CONECT 149 52
336CONECT 150 54
337CONECT 151 55
338CONECT 152 56
339CONECT 153 57
340CONECT 154 58
341CONECT 155 61
342CONECT 156 62
343CONECT 157 63
344CONECT 158 63
345CONECT 159 64
346CONECT 160 67
347CONECT 161 68
348CONECT 162 69
349CONECT 163 69
350CONECT 164 70
351CONECT 165 70
352CONECT 166 71
353CONECT 167 71
354CONECT 168 72
355CONECT 169 74
356CONECT 170 75
357CONECT 171 75
358CONECT 172 78
359CONECT 173 79
360CONECT 174 79
361CONECT 175 82
362CONECT 176 83
363CONECT 177 84
364CONECT 178 84
365CONECT 179 87
366CONECT 180 90
367CONECT 181 91
368CONECT 182 92
369CONECT 183 92
370CONECT 184 93
371CONECT 185 94
372END