BD1J3T
-OEChem-04022117083D
52 55 0 1 0 0 0 0 0999 V2000
4.5072 -2.1936 0.2970 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7873 2.1353 -0.9159 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9514 -0.9836 1.1065 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2869 3.3188 -0.0782 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4804 1.4943 -0.1775 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1894 -0.3920 0.3047 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7846 -2.0868 -0.6000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3377 -2.1739 0.9896 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.6327 -2.2933 0.7183 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.0215 0.9484 1.4541 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2213 2.4164 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.5782 2.1287 1.1360 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5308 -0.0253 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6035 -0.8012 0.6075 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7109 1.4931 -0.0318 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0157 -0.3517 0.2270 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1279 1.9356 -0.4066 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1968 1.1575 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8041 -1.6914 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3121 -1.8902 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5943 -1.8301 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0890 -2.1445 -1.2087 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9148 -0.9045 -0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5409 -0.7270 0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2882 0.4387 0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0396 0.0434 -1.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4304 1.3972 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7978 1.2073 -1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2331 0.3743 2.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6042 -0.2674 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4526 -0.7034 1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4669 1.8285 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2749 -0.6905 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2871 1.8610 -1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2208 1.4585 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5317 0.3089 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2261 -2.4956 0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1294 -1.8408 -1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6417 -2.2990 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9935 1.8545 -1.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7404 -0.7124 2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1311 3.4223 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4884 1.2489 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4994 -1.6342 -2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9535 -2.3247 -2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6059 -3.0272 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4551 -1.4566 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5438 -0.1104 -2.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8887 1.9377 -2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2528 -0.7148 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1902 0.7256 3.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4144 0.6952 3.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 39 1 0 0 0 0
2 15 1 0 0 0 0
2 40 1 0 0 0 0
3 16 1 0 0 0 0
3 41 1 0 0 0 0
4 17 1 0 0 0 0
4 42 1 0 0 0 0
5 18 1 0 0 0 0
5 43 1 0 0 0 0
6 13 1 0 0 0 0
6 19 1 0 0 0 0
6 36 1 0 0 0 0
7 9 1 0 0 0 0
7 21 1 0 0 0 0
7 22 1 0 0 0 0
8 9 2 0 0 0 0
8 20 1 0 0 0 0
10 12 1 0 0 0 0
10 25 1 0 0 0 0
10 29 1 0 0 0 0
11 12 2 0 0 0 0
11 27 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 30 1 0 0 0 0
14 16 1 0 0 0 0
14 31 1 0 0 0 0
15 17 1 0 0 0 0
15 32 1 0 0 0 0
16 18 1 0 0 0 0
16 33 1 0 0 0 0
17 18 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
19 20 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 21 2 0 0 0 0
21 44 1 0 0 0 0
22 23 1 0 0 0 0
22 45 1 0 0 0 0
22 46 1 0 0 0 0
23 24 2 0 0 0 0
23 26 1 0 0 0 0
24 25 1 0 0 0 0
24 47 1 0 0 0 0
25 27 2 0 0 0 0
26 28 2 0 0 0 0
26 48 1 0 0 0 0
27 28 1 0 0 0 0
28 49 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
29 52 1 0 0 0 0
M END
$$$$