B2KDC1
-OEChem-04012113423D
43 44 0 1 0 0 0 0 0999 V2000
2.8155 -0.0525 0.6211 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0765 -0.1212 -1.6769 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4775 0.2369 -0.2631 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7393 0.8663 -0.3847 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3244 -0.5374 0.1939 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2782 -1.8860 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0243 0.2378 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1415 -2.7457 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7854 -0.5968 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8358 -2.0027 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4524 0.0479 0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3477 -2.7342 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6228 -0.6909 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5510 1.5118 0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 -2.0813 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7045 2.2927 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5189 0.2091 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2533 1.2570 0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5770 1.2033 -1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7971 2.6499 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6480 2.9362 -0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4266 -0.7328 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2250 -2.4273 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1313 -1.7311 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9956 0.6171 -1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9524 1.0923 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4212 -3.1167 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0108 -3.6170 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3294 -0.2980 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5033 1.1345 0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3214 -3.8211 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6241 1.3583 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6750 2.1377 0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4766 -2.6643 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9012 0.5440 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3473 1.1985 0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7399 2.2845 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1137 0.9002 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5369 0.6886 -1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1564 3.3961 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7043 2.7144 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1791 2.9177 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4847 3.5069 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 17 1 0 0 0 0
2 17 2 0 0 0 0
3 5 1 0 0 0 0
3 14 1 0 0 0 0
3 29 1 0 0 0 0
4 17 1 0 0 0 0
4 18 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 22 1 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 9 1 0 0 0 0
7 25 1 0 0 0 0
7 26 1 0 0 0 0
8 10 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 12 1 0 0 0 0
11 13 2 0 0 0 0
11 30 1 0 0 0 0
12 15 2 0 0 0 0
12 31 1 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
16 21 3 0 0 0 0
18 20 1 0 0 0 0
18 35 1 0 0 0 0
18 36 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
19 39 1 0 0 0 0
20 40 1 0 0 0 0
20 41 1 0 0 0 0
20 42 1 0 0 0 0
21 43 1 0 0 0 0
M END
$$$$