BKD3A8
-OEChem-04042105373D
62 66 0 1 0 0 0 0 0999 V2000
0.9377 2.8282 0.7460 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6301 3.8226 -1.3208 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0480 3.7093 0.0975 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2309 -2.3212 -0.9720 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7916 2.8529 -1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3947 -4.4517 -0.2162 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1985 2.2813 2.4847 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8392 -3.3717 0.5854 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3012 -1.0706 0.9014 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4475 1.6109 0.1994 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4632 -0.3188 1.4454 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4659 0.9393 -0.8765 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4163 -0.4015 -0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7508 1.6091 -1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6544 1.9584 -0.1274 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9588 2.6497 -0.5787 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5118 -1.0686 -0.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7383 -1.3127 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8898 3.0409 0.5938 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8108 -0.4212 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2919 -2.5715 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6775 1.6659 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8944 0.9341 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1335 -2.4672 0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3502 1.8281 1.4319 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0826 -1.1652 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0948 -3.6941 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9702 -1.0814 0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8951 -2.2827 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1186 1.6130 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4178 -3.5055 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1050 0.7765 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1889 -0.4028 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2631 0.9416 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5383 -3.6952 -0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5755 -1.0594 2.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2649 1.6010 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2380 1.0253 -2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4537 2.5403 -1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8851 1.0769 0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4973 2.0101 -1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3875 3.7699 1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4960 1.3517 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5308 -0.2629 -1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7122 -4.6473 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9483 -2.1302 0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1937 2.6634 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6392 3.5971 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5101 0.3924 -0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0345 1.1955 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 4.4746 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6055 3.9359 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9485 -4.1741 -1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2998 -3.7140 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6951 2.9260 3.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9319 -0.9605 0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4943 -1.6261 2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7238 -0.0349 2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7604 -1.5356 2.8552 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1743 2.1694 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5462 0.5770 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7429 2.0762 -1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 48 1 0 0 0 0
2 16 1 0 0 0 0
2 51 1 0 0 0 0
3 19 1 0 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
7 25 1 0 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
$$$$