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Ticket #18010: 1.pdb

File 1.pdb, 18.7 KB (added by arshadkhanbaloch214@…, 6 months ago)
Added by email2trac

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

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