BKD3A8
-OEChem-04022108272D
62 66 0 1 0 0 0 0 0999 V2000
6.0010 1.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5982 -3.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -4.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3257 -4.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3972 -2.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3972 -0.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 4.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.8048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.6952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2690 1.1952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8671 -2.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2640 -2.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.1952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7331 -1.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6691 -3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6579 -3.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.6952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2359 -2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0742 -4.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6270 -2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6216 -3.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6270 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0435 -4.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 3.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 -1.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 -0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3860 -4.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3933 -3.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3933 0.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5244 -0.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9230 -0.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.8152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9898 -1.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3334 -4.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6199 -2.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6199 0.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.8152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0135 3.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6150 4.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 3.3152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7961 -4.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 -4.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 4.8152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7733 -3.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3909 -3.9489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0133 -3.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0133 0.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3909 1.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7733 0.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15 1 1 1 0 0 0
1 48 1 0 0 0 0
16 2 1 1 0 0 0
2 51 1 0 0 0 0
19 3 1 1 0 0 0
3 52 1 0 0 0 0
4 29 1 0 0 0 0
4 35 1 0 0 0 0
5 22 2 0 0 0 0
6 31 1 0 0 0 0
6 35 1 0 0 0 0
25 7 1 6 0 0 0
7 55 1 0 0 0 0
8 24 2 0 0 0 0
9 33 1 0 0 0 0
9 36 1 0 0 0 0
10 34 1 0 0 0 0
10 37 1 0 0 0 0
11 32 1 0 0 0 0
11 56 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 22 1 0 0 0 0
13 17 2 0 0 0 0
13 18 1 0 0 0 0
14 15 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 16 1 0 0 0 0
15 40 1 0 0 0 0
16 19 1 0 0 0 0
16 41 1 0 0 0 0
17 20 1 0 0 0 0
17 24 1 0 0 0 0
18 21 1 0 0 0 0
18 26 2 0 0 0 0
19 25 1 0 0 0 0
19 42 1 0 0 0 0
20 23 1 0 0 0 0
20 28 2 0 0 0 0
21 24 1 0 0 0 0
21 27 2 0 0 0 0
22 23 1 0 0 0 0
23 30 2 0 0 0 0
25 32 1 0 0 0 0
25 43 1 0 0 0 0
26 29 1 0 0 0 0
26 44 1 0 0 0 0
27 31 1 0 0 0 0
27 45 1 0 0 0 0
28 33 1 0 0 0 0
28 46 1 0 0 0 0
29 31 2 0 0 0 0
30 34 1 0 0 0 0
30 47 1 0 0 0 0
32 49 1 0 0 0 0
32 50 1 0 0 0 0
33 34 2 0 0 0 0
35 53 1 0 0 0 0
35 54 1 0 0 0 0
36 57 1 0 0 0 0
36 58 1 0 0 0 0
36 59 1 0 0 0 0
37 60 1 0 0 0 0
37 61 1 0 0 0 0
37 62 1 0 0 0 0
M END
$$$$