BEB40F
-OEChem-04022111483D
44 45 0 1 0 0 0 0 0999 V2000
4.1726 0.2846 0.8391 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8018 -1.9164 0.0203 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -0.2145 -2.1833 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7182 2.4735 1.3608 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0788 -0.4418 -0.5499 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7011 0.0211 -0.9497 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8434 -1.0701 -0.1341 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9451 -2.5952 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0908 -3.2484 0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8779 1.5041 -0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9533 -0.5466 -0.3079 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2869 -0.5404 -1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6112 1.5136 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9065 -2.9600 2.0183 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1729 -4.7585 0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4302 0.8538 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6417 1.3851 -0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5729 1.6284 0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9959 2.6911 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9270 2.9342 0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1385 3.4656 0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6533 -0.2165 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6256 -0.8501 0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0110 -3.0491 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0781 -2.8495 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0491 -2.8201 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9296 2.0419 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5201 1.9671 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8184 -0.4381 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5270 -0.7160 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6797 -0.9378 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9141 -3.2667 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0402 -1.8981 2.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6510 -3.5038 2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2530 -5.2579 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3251 -4.9813 -0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0095 -5.1933 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6942 -2.2959 0.0895 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3195 0.7924 -1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6182 1.2712 0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9391 3.1049 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 3.5383 1.5146 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4139 4.4825 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 14 1 0 0 0 0
2 12 1 0 0 0 0
2 39 1 0 0 0 0
3 13 2 0 0 0 0
4 14 2 0 0 0 0
5 7 1 0 0 0 0
5 13 1 0 0 0 0
5 31 1 0 0 0 0
6 8 1 0 0 0 0
6 17 1 0 0 0 0
6 32 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 23 1 0 0 0 0
8 9 1 0 0 0 0
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8 24 1 0 0 0 0
9 10 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 15 1 0 0 0 0
10 16 1 0 0 0 0
10 27 1 0 0 0 0
11 14 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 40 1 0 0 0 0
19 21 2 0 0 0 0
19 41 1 0 0 0 0
20 22 2 0 0 0 0
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21 22 1 0 0 0 0
21 43 1 0 0 0 0
22 44 1 0 0 0 0
M END
$$$$