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BioCAD format, all rights reserved
Generated coords from CombiChem; Version 12.00-1
NAME compound 1
PROP 7 1
18 18
1 C 0 0.0000 -50.0 -94.0 86.0 3 6 2 11 U
2 C 0 0.0000 -188.0 -74.0 82.0 3 1 3 12 U
3 C 0 0.0000 -244.0 36.0 14.0 3 2 4 13 U
4 C 0 0.0000 -158.0 128.0 -50.0 3 3 5 14 U
5 C 0 0.0000 -18.0 108.0 -46.0 3 4 6 15 U
6 C 0 0.0000 38.0 -2.0 22.0 3 5 1 7 U
7 C 0 0.0000 186.0 -20.0 26.0 4 6 8 16 17 U
8 C 0 0.0000 260.0 106.0 22.0 3 7 9 10 U
9 O 0 0.0000 242.0 190.0 108.0 1 8 U
10 O 0 0.0000 338.0 126.0 -68.0 2 8 18 U
11 H 0 0.0000 -12.0 -174.0 136.0 1 1 U
12 H 0 0.0000 -250.0 -142.0 130.0 1 2 U
13 H 0 0.0000 -344.0 50.0 12.0 1 3 U
14 H 0 0.0000 -198.0 208.0 -100.0 1 4 U
15 H 0 0.0000 42.0 176.0 -92.0 1 5 U
16 H 0 0.0000 210.0 -78.0 118.0 1 7 U
17 H 0 0.0000 222.0 -84.0 -56.0 1 7 U
18 H 0 0.0000 388.0 212.0 -72.0 1 10 U
1 1.500 1 6 0 0
2 1.500 2 1 0 0
3 1.500 3 2 0 0
4 1.500 4 3 0 0
5 1.500 5 4 0 0
6 1.500 6 5 0 0
7 1.000 7 6 0 0
8 1.000 8 7 0 0
9 2.000 9 8 0 0
10 1.000 10 8 0 0
11 1.000 1 11 0 0
12 1.000 2 12 0 0
13 1.000 3 13 0 0
14 1.000 4 14 0 0
15 1.000 5 15 0 0
16 1.000 7 16 0 0
17 1.000 7 17 0 0
18 1.000 10 18 0 0
CONFS 9
NAME conf5
-50.0 -94.0 86.0
-188.0 -74.0 82.0
-244.0 36.0 14.0
-158.0 128.0 -50.0
-18.0 108.0 -46.0
38.0 -2.0 22.0
186.0 -20.0 26.0
260.0 106.0 22.0
242.0 190.0 108.0
338.0 126.0 -68.0
-12.0 -174.0 136.0
-250.0 -142.0 130.0
-344.0 50.0 12.0
-198.0 208.0 -100.0
42.0 176.0 -92.0
210.0 -78.0 118.0
222.0 -84.0 -56.0
388.0 212.0 -72.0
NAME conf9
-50.0 -94.0 86.0
-188.0 -74.0 82.0
-244.0 36.0 14.0
-158.0 128.0 -50.0
-18.0 108.0 -46.0
38.0 -2.0 22.0
186.0 -20.0 26.0
260.0 106.0 22.0
338.0 126.0 -68.0
244.0 190.0 108.0
-12.0 -174.0 136.0
-250.0 -142.0 130.0
-344.0 50.0 12.0
-198.0 208.0 -100.0
42.0 176.0 -92.0
210.0 -78.0 118.0
222.0 -84.0 -56.0
296.0 276.0 104.0
NAME conf6
-50.0 -94.0 86.0
-188.0 -74.0 82.0
-244.0 36.0 14.0
-158.0 128.0 -50.0
-18.0 108.0 -46.0
38.0 -2.0 22.0
186.0 -20.0 26.0
232.0 -88.0 148.0
290.0 -194.0 140.0
210.0 -40.0 258.0
-12.0 -174.0 136.0
-250.0 -142.0 130.0
-344.0 50.0 12.0
-198.0 208.0 -100.0
42.0 176.0 -92.0
216.0 -76.0 -62.0
240.0 74.0 20.0
240.0 -88.0 340.0
NAME conf3
-50.0 -94.0 86.0
-188.0 -74.0 82.0
-244.0 36.0 14.0
-158.0 128.0 -50.0
-18.0 108.0 -46.0
38.0 -2.0 22.0
186.0 -20.0 26.0
232.0 -88.0 148.0
210.0 -40.0 258.0
290.0 -194.0 140.0
-12.0 -174.0 136.0
-250.0 -142.0 130.0
-344.0 50.0 12.0
-198.0 208.0 -100.0
42.0 176.0 -92.0
216.0 -76.0 -62.0
240.0 74.0 20.0
320.0 -242.0 224.0
NAME conf4
-50.0 -94.0 86.0
-188.0 -74.0 82.0
-244.0 36.0 14.0
-158.0 128.0 -50.0
-18.0 108.0 -46.0
38.0 -2.0 22.0
186.0 -20.0 26.0
256.0 90.0 90.0
322.0 74.0 190.0
246.0 204.0 44.0
-12.0 -174.0 136.0
-250.0 -142.0 130.0
-344.0 50.0 12.0
-198.0 208.0 -100.0
42.0 176.0 -92.0
206.0 -116.0 80.0
228.0 -34.0 -74.0
292.0 280.0 90.0
NAME conf2
-50.0 -94.0 86.0
-188.0 -74.0 82.0
-244.0 36.0 14.0
-158.0 128.0 -50.0
-18.0 108.0 -46.0
38.0 -2.0 22.0
186.0 -20.0 26.0
240.0 -22.0 162.0
202.0 -104.0 244.0
322.0 62.0 196.0
-12.0 -174.0 136.0
-250.0 -142.0 130.0
-344.0 50.0 12.0
-198.0 208.0 -100.0
42.0 176.0 -92.0
210.0 -114.0 -24.0
238.0 58.0 -30.0
356.0 62.0 290.0
NAME conf7
-50.0 -94.0 86.0
-188.0 -74.0 82.0
-244.0 36.0 14.0
-158.0 128.0 -50.0
-18.0 108.0 -46.0
38.0 -2.0 22.0
186.0 -20.0 26.0
240.0 -22.0 162.0
322.0 60.0 196.0
202.0 -104.0 244.0
-12.0 -174.0 136.0
-250.0 -142.0 130.0
-344.0 50.0 12.0
-198.0 208.0 -100.0
42.0 176.0 -92.0
210.0 -114.0 -24.0
238.0 58.0 -30.0
238.0 -102.0 338.0
NAME conf8
-50.0 -94.0 86.0
-188.0 -74.0 82.0
-244.0 36.0 14.0
-158.0 128.0 -50.0
-18.0 108.0 -46.0
38.0 -2.0 22.0
186.0 -20.0 26.0
248.0 44.0 142.0
240.0 164.0 156.0
310.0 -20.0 224.0
-12.0 -174.0 136.0
-250.0 -142.0 130.0
-344.0 50.0 12.0
-198.0 208.0 -100.0
42.0 176.0 -92.0
206.0 -128.0 28.0
234.0 18.0 -64.0
354.0 26.0 302.0
NAME conf1
-50.0 -94.0 86.0
-188.0 -74.0 82.0
-244.0 36.0 14.0
-158.0 128.0 -50.0
-18.0 108.0 -46.0
38.0 -2.0 22.0
186.0 -20.0 26.0
240.0 -22.0 162.0
298.0 -118.0 206.0
226.0 76.0 234.0
-12.0 -174.0 136.0
-250.0 -142.0 130.0
-344.0 50.0 12.0
-198.0 208.0 -100.0
42.0 176.0 -92.0
210.0 -114.0 -24.0
238.0 58.0 -30.0
262.0 76.0 328.0
|
