B75UQB
-OEChem-04042103533D
45 49 0 0 0 0 0 0 0999 V2000
-7.4005 1.3430 -0.8018 S 0 0 0 0 0 0 0 0 0 0 0 0
6.2266 1.7385 0.7274 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6730 -3.2403 -0.1386 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6434 0.1891 0.4377 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3323 -1.3132 0.7253 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7632 2.1136 0.9623 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0871 2.3110 0.6092 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4618 -0.3321 -0.4576 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7338 -1.2319 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6298 -1.9687 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2394 0.1034 1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5075 0.8260 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5973 1.1395 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7309 -2.0610 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9871 0.9265 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0381 -1.4023 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3577 -0.7416 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9589 -1.4405 1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8913 1.9603 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5190 -0.1574 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5981 -0.1192 -1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1994 -0.8180 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7224 -0.2334 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8018 0.4862 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5680 -1.3764 -1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7959 0.2434 -1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9213 1.0965 -1.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7444 1.9589 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6994 -1.6043 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6430 -1.3766 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8169 -1.9510 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6006 -3.0175 0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5888 0.6074 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0399 0.1120 2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6469 -0.7053 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7204 -1.9545 2.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7546 3.0168 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8282 0.3933 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9041 -0.8705 1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4312 -1.4838 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9289 -1.2522 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9974 -2.3100 -1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7286 -0.5092 -2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8153 1.0783 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4339 2.7077 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
1 23 1 0 0 0 0
2 24 1 0 0 0 0
2 28 1 0 0 0 0
3 14 2 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
4 13 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
6 7 1 0 0 0 0
6 12 2 0 0 0 0
7 13 2 0 0 0 0
8 15 1 0 0 0 0
8 23 2 0 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 30 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
15 19 2 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 21 1 0 0 0 0
17 35 1 0 0 0 0
18 22 2 0 0 0 0
18 36 1 0 0 0 0
19 37 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
20 24 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
23 25 1 0 0 0 0
24 26 2 0 0 0 0
25 40 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
26 27 1 0 0 0 0
26 43 1 0 0 0 0
27 28 2 0 0 0 0
27 44 1 0 0 0 0
28 45 1 0 0 0 0
M END
$$$$