BP3F7E
-OEChem-04022109363D
46 48 0 1 0 0 0 0 0999 V2000
2.2406 -3.1164 -1.5418 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3258 1.0862 -0.0517 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5442 -3.0650 0.0871 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1648 -1.3647 0.1378 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8575 -0.1359 -0.7046 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4016 -1.4003 1.4695 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1410 -2.2124 1.1894 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6596 2.2636 -0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7873 1.1982 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6958 -2.6247 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 3.5467 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2990 2.4464 0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6173 3.7064 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2206 -4.2378 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9970 -1.3579 0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9273 -0.6585 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0353 0.1749 0.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8388 0.7268 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3116 0.4357 -1.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9189 1.5396 0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3915 1.2485 -1.5072 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1952 1.8006 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2373 -1.4805 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7752 -0.0823 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2968 -0.2396 -1.7064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -0.4145 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0162 -1.9504 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1099 -2.8373 2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5728 2.1723 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8661 2.3429 -1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1015 1.2306 -1.2101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2867 0.3401 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7625 3.5276 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6266 4.4127 -0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3835 2.5324 0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1151 2.3501 1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9393 3.8973 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9198 4.5729 0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2843 -4.9090 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2638 -4.7566 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2242 -3.9286 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6361 0.5329 2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6939 0.0132 -1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5446 1.9695 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6067 1.4519 -2.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0360 2.4335 -0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 5 1 0 0 0 0
2 8 1 0 0 0 0
2 9 1 0 0 0 0
3 7 1 0 0 0 0
3 10 1 0 0 0 0
3 14 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 10 1 0 0 0 0
4 23 1 0 0 0 0
5 24 1 0 0 0 0
5 25 1 0 0 0 0
6 7 1 0 0 0 0
6 26 1 0 0 0 0
6 27 1 0 0 0 0
7 15 1 0 0 0 0
7 28 1 0 0 0 0
8 11 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 12 1 0 0 0 0
9 31 1 0 0 0 0
9 32 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 13 1 0 0 0 0
12 35 1 0 0 0 0
12 36 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
14 41 1 0 0 0 0
15 16 3 0 0 0 0
16 17 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 42 1 0 0 0 0
19 21 2 0 0 0 0
19 43 1 0 0 0 0
20 22 2 0 0 0 0
20 44 1 0 0 0 0
21 22 1 0 0 0 0
21 45 1 0 0 0 0
22 46 1 0 0 0 0
M END
$$$$