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2231955-mol.cif
OpenBabel11141310043D
78 77 0 0 0 0 0 0 0 0999 V2000
2.9421 2.8782 2.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7790 1.7031 1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8289 1.8644 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5543 0.4283 2.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5275 0.2926 3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1970 5.9725 2.7245 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6710 4.5090 3.2044 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4718 5.8426 0.1836 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2412 5.7631 2.6344 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.9855 7.0512 3.6268 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5575 3.5069 2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2814 2.5744 3.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0908 3.3032 2.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0650 5.7977 0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9421 -2.8782 -2.5385 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7790 -1.7031 -1.6108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8289 -1.8644 -0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6530 0.8018 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6530 -0.8018 0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4159 -0.4494 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4159 0.4494 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3683 -0.6475 1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3683 0.6475 -1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5543 -0.4283 -2.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9058 -1.5670 -2.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9058 1.5670 2.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9861 2.7120 -0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9861 -2.7120 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6941 0.9346 -1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6941 -0.9346 1.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2135 -1.4974 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2135 1.4974 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5275 -0.2926 -3.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1552 -1.6004 -0.9973 N 0 3 0 0 0 0 0 0 0 0 0 0
-2.1552 1.6004 0.9973 N 0 3 0 0 0 0 0 0 0 0 0 0
-7.5447 9.4444 5.5361 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6766 10.9078 5.0563 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7426 5.9788 1.2860 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6051 9.4381 6.9746 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4718 -5.8426 -0.1836 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1065 9.6537 5.6262 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6949 -1.7635 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6949 1.7635 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1603 7.9223 4.2757 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1873 7.4946 3.9849 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4080 7.1746 3.7341 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9396 8.2423 4.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3621 8.3656 4.6338 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3119 6.2862 3.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0357 9.1307 5.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6543 6.4518 3.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6934 8.9650 5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4120 -2.3290 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4120 2.3290 0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2378 7.8255 4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1098 7.5913 4.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9790 5.5827 2.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3686 9.8342 5.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2294 5.8671 2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1183 9.5497 5.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5575 -3.5069 -2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2814 -2.5744 -3.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0908 -3.3032 -2.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0650 -5.7977 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1451 5.2228 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1451 -5.2228 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5357 -0.8875 -2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5357 0.8875 2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8348 -2.4204 -2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8348 2.4204 2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8297 -1.3723 -2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8297 1.3723 2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2335 -1.8771 -0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2335 1.8771 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -2.5362 -1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5510 2.5362 1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3590 -0.9831 -1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3590 0.9831 1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
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3 2 2 0 0 0 0
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9 6 2 0 0 0 0
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10 44 1 0 0 0 0
11 1 1 0 0 0 0
15 61 1 0 0 0 0
15 16 1 0 0 0 0
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22 31 1 0 0 0 0
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23 21 2 0 0 0 0
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24 23 1 0 0 0 0
25 71 1 0 0 0 0
25 34 1 0 0 0 0
26 70 1 0 0 0 0
26 68 1 0 0 0 0
27 3 1 0 0 0 0
29 18 1 0 0 0 0
32 23 1 0 0 0 0
33 24 1 0 0 0 0
34 53 1 0 0 0 0
34 20 1 0 0 0 0
35 43 1 0 0 0 0
35 26 1 0 0 0 0
36 41 2 0 0 0 0
37 41 2 0 0 0 0
38 9 2 0 0 0 0
40 66 1 0 0 0 0
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42 34 1 0 0 0 0
42 73 1 0 0 0 0
43 78 1 0 0 0 0
43 76 1 0 0 0 0
44 52 2 0 0 0 0
45 56 1 0 0 0 0
45 48 2 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
47 50 2 0 0 0 0
48 41 1 0 0 0 0
49 51 2 0 0 0 0
49 46 1 0 0 0 0
50 58 1 0 0 0 0
51 45 1 0 0 0 0
52 50 1 0 0 0 0
52 60 1 0 0 0 0
54 35 1 0 0 0 0
55 44 1 0 0 0 0
57 49 1 0 0 0 0
59 51 1 0 0 0 0
62 15 1 0 0 0 0
63 15 1 0 0 0 0
64 40 1 0 0 0 0
65 8 1 0 0 0 0
67 25 1 0 0 0 0
69 25 1 0 0 0 0
72 26 1 0 0 0 0
74 43 1 0 0 0 0
75 42 1 0 0 0 0
77 42 1 0 0 0 0
M RAD 2 7 2 39 2
M CHG 2 34 1 35 1
M END
$$$$
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