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cholesterol-3D.sdf
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157 lines (155 loc) · 6.78 KB
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CT1001897301
74 77 0 10 0 999 V2000
-0.0187 1.5254 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6585 -0.5178 1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4183 2.0552 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1641 1.4423 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8094 2.2372 1.9753 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5750 1.7482 3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0229 0.3029 2.9254 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6452 -0.2562 4.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9567 0.4007 4.6368 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6114 -0.6949 5.5217 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0120 -2.0462 5.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1264 -2.9964 4.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0581 -3.2756 5.7967 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2404 -4.1240 5.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1721 -4.4032 6.5052 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3544 -5.2516 6.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3487 -5.4262 7.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8495 -6.6239 5.5821 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5125 -4.3105 4.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1089 -1.7038 3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9212 -1.7191 2.5815 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8581 -2.5470 3.7179 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1130 -2.0212 2.4811 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7780 -0.5379 2.6102 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1152 -0.0481 1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.6795 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7097 1.9988 -1.1473 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0653 -0.4162 3.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7392 0.2641 2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9207 -0.2446 5.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5288 1.8770 0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0191 -0.3803 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5688 -0.3544 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1216 -0.1273 2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6270 -1.6072 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9065 1.7733 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4100 3.1409 0.0966 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7938 3.2978 1.7723 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4501 2.3793 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9364 1.7870 4.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5854 0.6279 3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7593 1.3003 5.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6919 -0.6960 5.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3735 -0.5200 6.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4301 -2.4965 5.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6938 -2.5382 3.8057 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4261 -2.3322 6.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5116 -3.8134 6.5714 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8723 -5.0674 4.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7869 -3.5862 4.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5401 -3.4598 6.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6256 -4.9410 7.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8479 -4.7541 5.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8551 -5.9238 8.0171 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1909 -6.0306 6.8456 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7083 -4.4486 7.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3560 -7.1214 6.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1412 -6.4995 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6918 -7.2283 5.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8487 -4.1116 3.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3063 -4.9874 3.8131 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9450 -4.7686 4.9388 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7951 -1.0774 2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2435 -2.7380 2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3035 -1.3530 1.7615 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1310 -3.5920 3.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2276 -2.4477 4.6015 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7380 -2.1689 1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1882 -2.5848 2.3573 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3924 -0.3637 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8997 -0.3592 0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8106 -1.7655 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7616 2.9625 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 1 0 0
1 4 1 0 1 0 0
1 28 1 0 0 0 0
1 32 1 0 0 0 0
2 3 1 0 1 0 0
2 33 1 0 0 0 0
2 34 1 0 0 0 0
3 26 1 0 1 0 0
3 35 1 0 0 0 0
3 36 1 0 0 0 0
4 5 1 0 1 0 0
4 37 1 0 0 0 0
4 38 1 0 0 0 0
5 6 2 0 1 0 0
5 26 1 0 2 0 0
6 7 1 0 1 0 0
6 39 1 0 0 0 0
7 8 1 0 1 0 0
7 40 1 0 0 0 0
7 41 1 0 0 0 0
8 9 1 0 1 0 0
8 25 1 0 2 0 0
8 30 1 0 0 0 0
9 10 1 0 1 0 0
9 21 1 0 2 0 0
9 31 1 0 0 0 0
10 11 1 0 1 0 0
10 42 1 0 0 0 0
10 43 1 0 0 0 0
11 12 1 0 1 0 0
11 44 1 0 0 0 0
11 45 1 0 0 0 0
12 13 1 0 0 0 0
12 21 1 0 1 0 0
12 46 1 0 0 0 0
13 14 1 0 0 0 0
13 20 1 0 0 0 0
13 47 1 0 0 0 0
14 15 1 0 0 0 0
14 48 1 0 0 0 0
14 49 1 0 0 0 0
15 16 1 0 0 0 0
15 50 1 0 0 0 0
15 51 1 0 0 0 0
16 17 1 0 0 0 0
16 52 1 0 0 0 0
16 53 1 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
17 54 1 0 0 0 0
18 55 1 0 0 0 0
18 56 1 0 0 0 0
18 57 1 0 0 0 0
19 58 1 0 0 0 0
19 59 1 0 0 0 0
19 60 1 0 0 0 0
20 61 1 0 0 0 0
20 62 1 0 0 0 0
20 63 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 1 0 0
22 64 1 0 0 0 0
22 65 1 0 0 0 0
22 66 1 0 0 0 0
23 24 1 0 1 0 0
23 67 1 0 0 0 0
23 68 1 0 0 0 0
24 25 1 0 1 0 0
24 69 1 0 0 0 0
24 70 1 0 0 0 0
25 26 1 0 1 0 0
25 29 1 0 0 0 0
26 27 1 0 0 0 0
27 71 1 0 0 0 0
27 72 1 0 0 0 0
27 73 1 0 0 0 0
28 74 1 0 0 0 0
M END
$$$$