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dan005.sdf
-ISIS- 3D
45 47 0 0 0 0 0 0 0 0 1 V2000
-6.7749 -2.6304 -0.1868 N 0 0 0 0 0
-5.6253 -1.9303 -0.2754 C 0 0 0 0 0
-5.6852 -0.6734 -0.3719 N 0 0 0 0 0
-4.6539 0.0516 -0.4588 C 0 0 0 0 0
-3.3850 -0.5507 -0.4488 C 0 0 0 0 0
-3.4272 -1.9499 -0.3418 C 0 0 0 0 0
-4.5309 -2.5576 -0.2609 N 0 0 0 0 0
-4.8658 1.3775 -0.5654 N 0 0 0 0 0
-2.1234 0.0681 -0.5323 C 0 0 0 0 0
-1.0054 -0.7858 -0.5190 C 0 0 0 0 0
-1.2510 -2.1578 -0.4061 C 0 0 0 0 0
-2.3963 -2.6766 -0.3218 N 0 0 0 0 0
-1.9542 1.5673 -0.6247 C 0 0 0 0 0
0.4206 -0.2953 -0.6170 C 0 0 0 0 0
0.7853 0.3635 0.6161 N 0 0 0 0 0
1.8670 1.1515 0.7904 C 0 0 0 0 0
1.8879 1.9938 1.8985 C 0 0 0 0 0
2.9883 2.8252 2.0903 C 0 0 0 0 0
4.0810 2.8623 1.2145 C 0 0 0 0 0
4.0857 1.9792 0.1132 C 0 0 0 0 0
2.9621 1.1567 -0.0755 C 0 0 0 0 0
5.1489 1.9875 -0.7501 O 0 0 0 0 0
5.0781 3.7400 1.5565 O 0 0 0 0 0
6.3155 3.7280 0.8927 C 0 0 0 0 0
5.0890 1.2679 -1.9561 C 0 0 0 0 0
-7.6221 -2.0659 -0.2069 H 0 0 0 0 0
-6.6583 -3.6389 -0.1080 H 0 0 0 0 0
-5.8470 1.6510 -0.5579 H 0 0 0 0 0
-4.0373 1.9537 -0.6605 H 0 0 0 0 0
-0.4197 -2.8806 -0.3807 H 0 0 0 0 0
-2.4256 2.0648 0.2528 H 0 0 0 0 0
-0.8972 1.9080 -0.6162 H 0 0 0 0 0
-2.3936 1.9511 -1.5734 H 0 0 0 0 0
1.1204 -1.1463 -0.7820 H 0 0 0 0 0
0.5231 0.3893 -1.4902 H 0 0 0 0 0
0.1245 0.4983 1.3842 H 0 0 0 0 0
1.0464 2.0135 2.6120 H 0 0 0 0 0
2.9926 3.4891 2.9711 H 0 0 0 0 0
2.9297 0.4748 -0.9371 H 0 0 0 0 0
6.9598 4.4676 1.4182 H 0 0 0 0 0
6.7855 2.7217 0.9815 H 0 0 0 0 0
6.1817 4.0698 -0.1588 H 0 0 0 0 0
6.0329 1.4913 -2.5017 H 0 0 0 0 0
5.0543 0.1751 -1.7419 H 0 0 0 0 0
4.2282 1.6235 -2.5683 H 0 0 0 0 0
1 2 1 0 0 0
1 26 1 0 0 0
1 27 1 0 0 0
2 3 4 0 0 0
2 7 4 0 0 0
3 4 4 0 0 0
4 5 4 0 0 0
4 8 1 0 0 0
5 6 4 0 0 0
5 9 4 0 0 0
6 7 4 0 0 0
6 12 4 0 0 0
8 28 1 0 0 0
8 29 1 0 0 0
9 10 4 0 0 0
9 13 1 0 0 0
10 11 4 0 0 0
10 14 1 0 0 0
11 12 4 0 0 0
11 30 1 0 0 0
13 31 1 0 0 0
13 32 1 0 0 0
13 33 1 0 0 0
14 15 1 0 0 0
14 34 1 0 0 0
14 35 1 0 0 0
15 16 1 0 0 0
15 36 1 0 0 0
16 17 4 0 0 0
16 21 4 0 0 0
17 18 4 0 0 0
17 37 1 0 0 0
18 19 4 0 0 0
18 38 1 0 0 0
19 20 4 0 0 0
19 23 1 0 0 0
20 21 4 0 0 0
20 22 1 0 0 0
21 39 1 0 0 0
22 25 1 0 0 0
23 24 1 0 0 0
24 40 1 0 0 0
24 41 1 0 0 0
24 42 1 0 0 0
25 43 1 0 0 0
25 44 1 0 0 0
25 45 1 0 0 0
M END
$$$$
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