BU14TM
-OEChem-04042104573D
67 71 0 1 0 0 0 0 0999 V2000
3.5407 2.0517 1.0225 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1190 1.0223 3.0529 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2291 -1.0662 -0.8159 O 0 5 0 0 0 0 0 0 0 0 0 0
-6.1937 -1.3421 -2.7318 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3996 -3.9208 -2.2562 O 0 5 0 0 0 0 0 0 0 0 0 0
4.5065 -2.7046 -3.8506 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2189 -0.7636 0.9051 N 0 0 1 0 0 0 0 0 0 0 0 0
0.9239 3.3415 0.9336 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.1838 -1.0569 -1.5099 N 0 3 0 0 0 0 0 0 0 0 0 0
4.5939 -3.0410 -2.6449 N 0 3 0 0 0 0 0 0 0 0 0 0
-1.2079 0.3301 0.9797 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2068 -0.4771 1.2084 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6446 1.5981 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5168 1.0100 1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 1.9936 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5312 -0.0381 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1077 -1.1598 0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6445 -2.0325 1.3552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8147 1.3487 1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5663 -0.3587 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7064 -0.0548 1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0281 -0.8020 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0108 -2.1412 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5316 -3.1428 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1772 -2.1760 2.6362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4429 4.3293 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7765 -0.6962 -1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9167 -0.3922 0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8517 -1.4253 -2.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8345 -2.7646 -0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9517 -0.7129 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9516 -4.3966 0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5971 -3.4299 3.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7549 -2.4066 -1.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4842 -4.5401 2.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1790 4.0205 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2260 5.6238 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8364 2.4567 1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 5.0062 -2.1265 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2548 6.6094 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5185 6.3005 -1.6542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3903 0.5715 2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4240 -0.8900 2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3886 2.3942 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5309 1.4316 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6205 3.6554 1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6611 -0.3647 -1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6942 0.1928 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3293 -0.0432 -1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0834 -2.4302 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1318 -3.0466 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2610 -1.3298 3.3125 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7655 -0.9434 -2.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8120 -0.3950 1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7616 -1.1216 -3.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5260 -3.5246 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8665 -5.2605 0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0088 -3.5423 4.0794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8110 -5.5163 2.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 3.0486 -1.6919 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4274 5.8762 1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3212 3.0110 0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4453 1.5795 1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7444 3.1133 2.3472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4912 4.7705 -3.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4230 7.6175 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8890 7.0689 -2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
1 38 1 0 0 0 0
2 19 2 0 0 0 0
3 9 1 0 0 0 0
4 9 2 0 0 0 0
5 10 1 0 0 0 0
6 10 2 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 18 1 0 0 0 0
8 15 1 0 0 0 0
8 26 1 0 0 0 0
8 46 1 0 0 0 0
9 31 1 0 0 0 0
10 34 1 0 0 0 0
11 13 1 0 0 0 0
11 16 1 0 0 0 0
11 42 1 0 0 0 0
12 14 1 0 0 0 0
12 17 1 0 0 0 0
12 43 1 0 0 0 0
13 15 1 0 0 0 0
13 44 1 0 0 0 0
13 45 1 0 0 0 0
14 15 2 0 0 0 0
14 19 1 0 0 0 0
16 20 2 0 0 0 0
16 21 1 0 0 0 0
17 22 2 0 0 0 0
17 23 1 0 0 0 0
18 24 2 0 0 0 0
18 25 1 0 0 0 0
20 27 1 0 0 0 0
20 47 1 0 0 0 0
21 28 2 0 0 0 0
21 48 1 0 0 0 0
22 29 1 0 0 0 0
22 49 1 0 0 0 0
23 30 2 0 0 0 0
23 50 1 0 0 0 0
24 32 1 0 0 0 0
24 51 1 0 0 0 0
25 33 2 0 0 0 0
25 52 1 0 0 0 0
26 36 2 0 0 0 0
26 37 1 0 0 0 0
27 31 2 0 0 0 0
27 53 1 0 0 0 0
28 31 1 0 0 0 0
28 54 1 0 0 0 0
29 34 2 0 0 0 0
29 55 1 0 0 0 0
30 34 1 0 0 0 0
30 56 1 0 0 0 0
32 35 2 0 0 0 0
32 57 1 0 0 0 0
33 35 1 0 0 0 0
33 58 1 0 0 0 0
35 59 1 0 0 0 0
36 39 1 0 0 0 0
36 60 1 0 0 0 0
37 40 2 0 0 0 0
37 61 1 0 0 0 0
38 62 1 0 0 0 0
38 63 1 0 0 0 0
38 64 1 0 0 0 0
39 41 2 0 0 0 0
39 65 1 0 0 0 0
40 41 1 0 0 0 0
40 66 1 0 0 0 0
41 67 1 0 0 0 0
M CHG 4 3 -1 5 -1 9 1 10 1
M END
$$$$