B90CTR
-OEChem-04042103233D
57 60 0 1 0 0 0 0 0999 V2000
2.3272 -4.7095 0.6773 F 0 0 0 0 0 0 0 0 0 0 0 0
6.1299 -0.4308 0.3704 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7337 1.7571 2.0192 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7787 0.3576 0.2675 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8040 -0.2020 -1.1072 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8234 -0.8476 -0.0508 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0218 0.8903 -1.1044 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3846 0.8437 -0.1473 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3045 3.7483 0.3624 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8979 3.6761 0.0883 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1497 -0.1395 -1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4421 -2.1508 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0561 0.9827 -1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 -1.2844 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0166 -0.8549 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9353 0.4892 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4625 0.8207 0.2114 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1587 1.4023 -0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1060 -2.4820 1.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4972 -2.1364 -1.2514 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3711 -3.1994 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7751 1.5732 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3784 1.7457 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7412 -2.5778 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5301 0.3547 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1947 -1.7492 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4065 1.9384 0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1138 3.1045 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3219 2.8260 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9117 -3.4566 0.4449 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0741 2.7618 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6597 -3.0514 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6181 -1.1210 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9158 0.0191 -2.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9581 0.9893 -1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5642 1.9533 -1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5846 0.8007 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8123 -0.8038 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9284 -1.8037 1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3818 -2.4278 2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5202 -3.4970 1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3715 -1.5235 -1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0752 -1.7636 -2.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8740 -3.1492 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8565 -2.9650 -1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6107 -3.2411 0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8069 -4.2001 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7118 -2.9019 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7774 -1.4557 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9365 2.9194 0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3412 1.9105 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3431 3.1504 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0713 3.1879 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0372 -3.7551 1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4185 4.7459 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9143 -0.4276 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3325 2.4821 2.2672 H 0 0 0 0 0 0 0 0 0 0 0 0
1 30 1 0 0 0 0
2 17 1 0 0 0 0
2 56 1 0 0 0 0
3 27 1 0 0 0 0
3 57 1 0 0 0 0
4 25 2 0 0 0 0
5 7 1 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
6 12 1 0 0 0 0
6 25 1 0 0 0 0
6 38 1 0 0 0 0
7 16 2 0 0 0 0
8 18 1 0 0 0 0
8 23 2 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
9 55 1 0 0 0 0
10 28 2 0 0 0 0
10 31 1 0 0 0 0
11 13 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
12 19 1 0 0 0 0
12 20 1 0 0 0 0
12 21 1 0 0 0 0
13 17 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 15 2 0 0 0 0
14 24 1 0 0 0 0
15 16 1 0 0 0 0
15 26 1 0 0 0 0
16 18 1 0 0 0 0
17 27 1 0 0 0 0
17 37 1 0 0 0 0
18 31 2 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
20 43 1 0 0 0 0
20 44 1 0 0 0 0
21 45 1 0 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
22 23 1 0 0 0 0
22 25 1 0 0 0 0
22 29 2 0 0 0 0
23 28 1 0 0 0 0
24 30 2 0 0 0 0
24 48 1 0 0 0 0
26 32 2 0 0 0 0
26 49 1 0 0 0 0
27 50 1 0 0 0 0
27 51 1 0 0 0 0
29 52 1 0 0 0 0
30 32 1 0 0 0 0
31 53 1 0 0 0 0
32 54 1 0 0 0 0
M END
$$$$