BKV6D5
-OEChem-04022108013D
67 71 0 1 0 0 0 0 0999 V2000
0.7503 -2.2631 2.5717 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2793 -0.3913 3.4637 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7290 2.0727 1.7889 O 0 5 0 0 0 0 0 0 0 0 0 0
-3.9793 0.9897 2.5537 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2270 -1.3871 -0.8414 O 0 5 0 0 0 0 0 0 0 0 0 0
4.2949 -1.9065 -1.7449 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3471 1.3225 -0.4666 N 0 0 3 0 0 0 0 0 0 0 0 0
-1.2249 -2.5470 0.4434 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.5856 1.5812 1.6280 N 0 3 0 0 0 0 0 0 0 0 0 0
4.9783 -1.2786 -0.9003 N 0 3 0 0 0 0 0 0 0 0 0 0
-0.6819 0.6874 -1.3126 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7636 0.7135 0.8219 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6677 -0.8439 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0779 -0.6092 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5914 -1.3537 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0728 1.2753 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2830 0.5624 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7589 2.6285 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1488 -1.0507 2.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6882 1.1600 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7285 1.9283 -2.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9309 -0.2822 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0225 1.2698 1.8203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4012 3.6955 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5253 2.8567 -1.9315 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 -3.5981 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9589 1.6979 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3182 -0.4193 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9994 2.4662 -1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4099 1.1326 1.8667 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8101 4.9904 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9342 4.1517 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6145 2.3510 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0577 0.2882 0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5767 5.2186 -1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5429 -4.4186 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4963 -3.8261 -1.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8933 -2.8290 3.8786 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7397 -5.4667 -1.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6931 -4.8744 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8149 -5.6947 -2.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4180 0.8835 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4517 1.4045 1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2150 -1.1943 -1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5519 -1.2295 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4887 -2.7468 1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1792 0.6761 0.9787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2626 2.0275 -3.1104 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3445 -0.8238 -0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5318 1.9316 2.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2048 3.5401 0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8165 2.0339 -2.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5094 2.9750 -2.7438 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9852 1.6838 2.6048 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5296 5.8215 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5322 4.3291 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6048 2.7823 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1396 0.2063 1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8950 6.2269 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2709 -4.2502 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 -3.2614 -1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3884 -3.7983 3.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0896 -2.9829 4.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5138 -2.1818 4.5058 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6127 -6.1060 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0355 -5.0628 -3.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9661 -6.5134 -2.9526 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 27 1 0 0 0 0
10 28 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 29 2 0 0 0 0
21 48 1 0 0 0 0
22 28 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 31 1 0 0 0 0
24 51 1 0 0 0 0
25 32 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 33 2 0 0 0 0
28 34 2 0 0 0 0
29 33 1 0 0 0 0
29 53 1 0 0 0 0
30 34 1 0 0 0 0
30 54 1 0 0 0 0
31 35 2 0 0 0 0
31 55 1 0 0 0 0
32 35 1 0 0 0 0
32 56 1 0 0 0 0
33 57 1 0 0 0 0
34 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
$$$$