B4B2RP
-OEChem-04012120172D
71 73 0 1 0 0 0 0 0999 V2000
3.0630 0.4798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1818 1.1534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8722 -3.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7986 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3746 -0.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6425 2.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1066 -0.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5086 4.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0086 2.1328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3746 1.7668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8191 -1.6131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7057 -0.2862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9396 -0.9290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6454 -0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0530 -2.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1133 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7588 -1.9551 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.0477 0.6535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9324 -2.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5249 -1.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0325 0.8271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2406 1.2668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3746 2.7668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1066 1.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2406 3.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1066 2.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2406 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5086 3.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5086 1.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0458 -4.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5086 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6425 1.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5086 1.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9267 -2.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8320 -0.3184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2654 -0.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7531 -0.0177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7430 -2.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5279 -2.6544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4933 -1.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0056 -2.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6511 -1.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4174 -0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -1.1697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3124 -2.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8248 -3.5505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9234 -1.7873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9998 -0.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1264 -0.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4524 0.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9767 0.8418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3746 3.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3187 1.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7172 1.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6391 3.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8421 3.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7172 2.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3187 3.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6690 1.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8980 0.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2965 -0.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0320 1.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4305 1.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4352 -4.3744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1535 -4.8773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6564 -4.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4009 0.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0912 1.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6286 2.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12 1 1 1 0 0 0
1 52 1 0 0 0 0
2 18 2 0 0 0 0
3 20 1 0 0 0 0
3 31 1 0 0 0 0
4 22 2 0 0 0 0
5 28 1 0 0 0 0
5 32 1 0 0 0 0
6 29 1 0 0 0 0
6 33 1 0 0 0 0
7 28 2 0 0 0 0
8 29 2 0 0 0 0
9 34 1 0 0 0 0
9 71 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
11 17 1 6 0 0 0
11 35 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 18 1 0 0 0 0
13 16 1 0 0 0 0
13 19 1 1 0 0 0
13 36 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 16 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
16 41 1 0 0 0 0
16 42 1 0 0 0 0
17 20 1 0 0 0 0
17 21 1 0 0 0 0
17 43 1 0 0 0 0
18 22 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
19 46 1 0 0 0 0
20 47 1 0 0 0 0
20 48 1 0 0 0 0
21 49 1 0 0 0 0
21 50 1 0 0 0 0
21 51 1 0 0 0 0
23 25 1 0 0 0 0
23 28 1 0 0 0 0
23 53 1 6 0 0 0
24 26 1 0 0 0 0
24 29 1 0 0 0 0
24 54 1 6 0 0 0
25 27 1 0 0 0 0
25 55 1 0 0 0 0
25 56 1 0 0 0 0
26 27 1 0 0 0 0
26 57 1 0 0 0 0
26 58 1 0 0 0 0
27 59 1 0 0 0 0
27 60 1 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
30 34 1 0 0 0 0
30 61 1 0 0 0 0
31 66 1 0 0 0 0
31 67 1 0 0 0 0
31 68 1 0 0 0 0
32 62 1 0 0 0 0
32 63 1 0 0 0 0
33 64 1 0 0 0 0
33 65 1 0 0 0 0
34 69 1 0 0 0 0
34 70 1 0 0 0 0
M END
$$$$