B16KXF
-OEChem-04012113263D
38 40 0 1 0 0 0 0 0999 V2000
1.8602 0.6202 -2.0189 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1819 -0.4897 -0.0184 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4210 2.8469 -0.3361 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5925 0.8540 1.6809 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1757 -0.5703 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6078 -1.7499 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8965 -1.8746 1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5675 -2.7430 0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4217 1.8353 -0.0178 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8369 0.6069 -0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 2.2950 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0739 1.5008 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6600 0.3286 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6215 -0.0654 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6486 1.8129 1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4821 -0.4504 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4171 -1.2040 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2707 -1.5921 -1.6206 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2228 -1.9612 -0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1338 -0.5934 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 0.2806 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6268 -1.6126 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9560 -2.0299 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5759 -2.3177 2.6965 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9789 -1.7042 1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2657 -3.5734 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5566 -3.1553 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4365 1.7033 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1111 2.2662 -1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1155 3.3481 -0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4831 2.6204 2.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4276 3.0378 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3521 2.5123 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1829 0.8243 2.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7530 -0.1761 -2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1585 -1.4922 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1390 -2.1958 -2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8248 -2.8516 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 10 1 0 0 0 0
3 9 1 0 0 0 0
3 32 1 0 0 0 0
3 33 1 0 0 0 0
4 14 1 0 0 0 0
4 15 1 0 0 0 0
4 34 1 0 0 0 0
5 7 1 0 0 0 0
5 20 1 0 0 0 0
5 21 1 0 0 0 0
6 8 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 28 1 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 15 2 0 0 0 0
13 14 1 0 0 0 0
13 16 2 0 0 0 0
14 17 2 0 0 0 0
15 31 1 0 0 0 0
16 18 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
17 36 1 0 0 0 0
18 19 2 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
M END
$$$$