1BioCAD format, all rights reserved
2Generated coords from CombiChem; Version 12.00-1
3NAME compound 1
4PROP 7 1
518 18
61 C    0  0.0000 -50.0 -94.0 86.0   3   6   2  11  U
72 C    0  0.0000 -188.0 -74.0 82.0   3   1   3  12  U
83 C    0  0.0000 -244.0 36.0 14.0   3   2   4  13  U
94 C    0  0.0000 -158.0 128.0 -50.0   3   3   5  14  U
105 C    0  0.0000 -18.0 108.0 -46.0   3   4   6  15  U
116 C    0  0.0000 38.0 -2.0 22.0   3   5   1   7  U
127 C    0  0.0000 186.0 -20.0 26.0   4   6   8  16  17  U
138 C    0  0.0000 260.0 106.0 22.0   3   7   9  10  U
149 O    0  0.0000 242.0 190.0 108.0   1   8  U
1510 O    0  0.0000 338.0 126.0 -68.0   2   8  18  U
1611 H    0  0.0000 -12.0 -174.0 136.0   1   1  U
1712 H    0  0.0000 -250.0 -142.0 130.0   1   2  U
1813 H    0  0.0000 -344.0 50.0 12.0   1   3  U
1914 H    0  0.0000 -198.0 208.0 -100.0   1   4  U
2015 H    0  0.0000 42.0 176.0 -92.0   1   5  U
2116 H    0  0.0000 210.0 -78.0 118.0   1   7  U
2217 H    0  0.0000 222.0 -84.0 -56.0   1   7  U
2318 H    0  0.0000 388.0 212.0 -72.0   1  10  U
241 1.500     1   6   0 0
252 1.500     2   1   0 0
263 1.500     3   2   0 0
274 1.500     4   3   0 0
285 1.500     5   4   0 0
296 1.500     6   5   0 0
307 1.000     7   6   0 0
318 1.000     8   7   0 0
329 2.000     9   8   0 0
3310 1.000    10   8   0 0
3411 1.000     1  11   0 0
3512 1.000     2  12   0 0
3613 1.000     3  13   0 0
3714 1.000     4  14   0 0
3815 1.000     5  15   0 0
3916 1.000     7  16   0 0
4017 1.000     7  17   0 0
4118 1.000    10  18   0 0
42CONFS 9
43NAME conf5
44 -50.0 -94.0 86.0
45 -188.0 -74.0 82.0
46 -244.0 36.0 14.0
47 -158.0 128.0 -50.0
48 -18.0 108.0 -46.0
49 38.0 -2.0 22.0
50 186.0 -20.0 26.0
51 260.0 106.0 22.0
52 242.0 190.0 108.0
53 338.0 126.0 -68.0
54 -12.0 -174.0 136.0
55 -250.0 -142.0 130.0
56 -344.0 50.0 12.0
57 -198.0 208.0 -100.0
58 42.0 176.0 -92.0
59 210.0 -78.0 118.0
60 222.0 -84.0 -56.0
61 388.0 212.0 -72.0
62
63NAME conf9
64 -50.0 -94.0 86.0
65 -188.0 -74.0 82.0
66 -244.0 36.0 14.0
67 -158.0 128.0 -50.0
68 -18.0 108.0 -46.0
69 38.0 -2.0 22.0
70 186.0 -20.0 26.0
71 260.0 106.0 22.0
72 338.0 126.0 -68.0
73 244.0 190.0 108.0
74 -12.0 -174.0 136.0
75 -250.0 -142.0 130.0
76 -344.0 50.0 12.0
77 -198.0 208.0 -100.0
78 42.0 176.0 -92.0
79 210.0 -78.0 118.0
80 222.0 -84.0 -56.0
81 296.0 276.0 104.0
82
83NAME conf6
84 -50.0 -94.0 86.0
85 -188.0 -74.0 82.0
86 -244.0 36.0 14.0
87 -158.0 128.0 -50.0
88 -18.0 108.0 -46.0
89 38.0 -2.0 22.0
90 186.0 -20.0 26.0
91 232.0 -88.0 148.0
92 290.0 -194.0 140.0
93 210.0 -40.0 258.0
94 -12.0 -174.0 136.0
95 -250.0 -142.0 130.0
96 -344.0 50.0 12.0
97 -198.0 208.0 -100.0
98 42.0 176.0 -92.0
99 216.0 -76.0 -62.0
100 240.0 74.0 20.0
101 240.0 -88.0 340.0
102
103NAME conf3
104 -50.0 -94.0 86.0
105 -188.0 -74.0 82.0
106 -244.0 36.0 14.0
107 -158.0 128.0 -50.0
108 -18.0 108.0 -46.0
109 38.0 -2.0 22.0
110 186.0 -20.0 26.0
111 232.0 -88.0 148.0
112 210.0 -40.0 258.0
113 290.0 -194.0 140.0
114 -12.0 -174.0 136.0
115 -250.0 -142.0 130.0
116 -344.0 50.0 12.0
117 -198.0 208.0 -100.0
118 42.0 176.0 -92.0
119 216.0 -76.0 -62.0
120 240.0 74.0 20.0
121 320.0 -242.0 224.0
122
123NAME conf4
124 -50.0 -94.0 86.0
125 -188.0 -74.0 82.0
126 -244.0 36.0 14.0
127 -158.0 128.0 -50.0
128 -18.0 108.0 -46.0
129 38.0 -2.0 22.0
130 186.0 -20.0 26.0
131 256.0 90.0 90.0
132 322.0 74.0 190.0
133 246.0 204.0 44.0
134 -12.0 -174.0 136.0
135 -250.0 -142.0 130.0
136 -344.0 50.0 12.0
137 -198.0 208.0 -100.0
138 42.0 176.0 -92.0
139 206.0 -116.0 80.0
140 228.0 -34.0 -74.0
141 292.0 280.0 90.0
142
143NAME conf2
144 -50.0 -94.0 86.0
145 -188.0 -74.0 82.0
146 -244.0 36.0 14.0
147 -158.0 128.0 -50.0
148 -18.0 108.0 -46.0
149 38.0 -2.0 22.0
150 186.0 -20.0 26.0
151 240.0 -22.0 162.0
152 202.0 -104.0 244.0
153 322.0 62.0 196.0
154 -12.0 -174.0 136.0
155 -250.0 -142.0 130.0
156 -344.0 50.0 12.0
157 -198.0 208.0 -100.0
158 42.0 176.0 -92.0
159 210.0 -114.0 -24.0
160 238.0 58.0 -30.0
161 356.0 62.0 290.0
162
163NAME conf7
164 -50.0 -94.0 86.0
165 -188.0 -74.0 82.0
166 -244.0 36.0 14.0
167 -158.0 128.0 -50.0
168 -18.0 108.0 -46.0
169 38.0 -2.0 22.0
170 186.0 -20.0 26.0
171 240.0 -22.0 162.0
172 322.0 60.0 196.0
173 202.0 -104.0 244.0
174 -12.0 -174.0 136.0
175 -250.0 -142.0 130.0
176 -344.0 50.0 12.0
177 -198.0 208.0 -100.0
178 42.0 176.0 -92.0
179 210.0 -114.0 -24.0
180 238.0 58.0 -30.0
181 238.0 -102.0 338.0
182
183NAME conf8
184 -50.0 -94.0 86.0
185 -188.0 -74.0 82.0
186 -244.0 36.0 14.0
187 -158.0 128.0 -50.0
188 -18.0 108.0 -46.0
189 38.0 -2.0 22.0
190 186.0 -20.0 26.0
191 248.0 44.0 142.0
192 240.0 164.0 156.0
193 310.0 -20.0 224.0
194 -12.0 -174.0 136.0
195 -250.0 -142.0 130.0
196 -344.0 50.0 12.0
197 -198.0 208.0 -100.0
198 42.0 176.0 -92.0
199 206.0 -128.0 28.0
200 234.0 18.0 -64.0
201 354.0 26.0 302.0
202
203NAME conf1
204 -50.0 -94.0 86.0
205 -188.0 -74.0 82.0
206 -244.0 36.0 14.0
207 -158.0 128.0 -50.0
208 -18.0 108.0 -46.0
209 38.0 -2.0 22.0
210 186.0 -20.0 26.0
211 240.0 -22.0 162.0
212 298.0 -118.0 206.0
213 226.0 76.0 234.0
214 -12.0 -174.0 136.0
215 -250.0 -142.0 130.0
216 -344.0 50.0 12.0
217 -198.0 208.0 -100.0
218 42.0 176.0 -92.0
219 210.0 -114.0 -24.0
220 238.0 58.0 -30.0
221 262.0 76.0 328.0
222
223