BUMC70
-OEChem-04022107093D
48 51 0 1 0 0 0 0 0999 V2000
-1.1830 2.5617 1.3586 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2445 -1.7052 -0.0916 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4257 0.4595 0.6584 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9712 -5.0233 1.4570 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9427 -1.0704 -0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2547 1.2933 2.4975 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5477 -4.0804 0.4234 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4254 -4.2199 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6011 -2.6480 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0349 -3.1781 -1.8772 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0690 -1.7664 -1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7334 -0.7838 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9411 0.7366 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3879 1.4626 0.8513 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9656 -0.1275 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7476 1.1245 0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7630 1.3688 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7950 2.0425 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2544 -0.4526 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0980 1.7168 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1626 1.6068 -1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0731 1.7052 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3034 0.4583 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8326 2.3028 -0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8970 2.1927 -2.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2321 2.5407 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7368 1.4830 1.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4889 -4.3146 0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0852 -2.5433 1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6091 -2.4190 1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3224 -5.2245 -1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4836 -4.0893 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7117 -3.2431 -2.7362 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0244 -3.3985 -2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0999 -1.4841 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7022 -1.0695 -2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8900 -5.9765 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3461 -4.9572 2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4247 -0.1769 1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8958 1.4263 1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6355 3.0197 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4495 -1.4223 -1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1306 1.3693 -1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8890 2.4143 0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2988 0.1944 -0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8743 2.5802 -0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4300 2.3793 -3.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8038 2.9970 -2.8528 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 9 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
3 12 1 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
4 7 1 0 0 0 0
4 37 1 0 0 0 0
4 38 1 0 0 0 0
5 12 2 0 0 0 0
5 15 1 0 0 0 0
6 27 3 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 28 1 0 0 0 0
8 10 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 11 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
13 17 1 0 0 0 0
13 39 1 0 0 0 0
13 40 1 0 0 0 0
14 16 1 0 0 0 0
15 16 1 0 0 0 0
15 19 2 0 0 0 0
16 18 2 0 0 0 0
17 20 1 0 0 0 0
17 21 2 0 0 0 0
18 22 1 0 0 0 0
18 41 1 0 0 0 0
19 23 1 0 0 0 0
19 42 1 0 0 0 0
20 24 2 0 0 0 0
20 27 1 0 0 0 0
21 25 1 0 0 0 0
21 43 1 0 0 0 0
22 23 2 0 0 0 0
22 44 1 0 0 0 0
23 45 1 0 0 0 0
24 26 1 0 0 0 0
24 46 1 0 0 0 0
25 26 2 0 0 0 0
25 47 1 0 0 0 0
26 48 1 0 0 0 0
M END
$$$$