BPY42U
-OEChem-04022114063D
47 49 0 0 0 0 0 0 0999 V2000
-6.7864 2.9202 -0.0258 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2907 -5.0343 -0.0472 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.1485 -4.7531 1.0469 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.1598 -4.7527 -1.1219 F 0 0 0 0 0 0 0 0 0 0 0 0
7.7500 2.5449 -1.1416 F 0 0 0 0 0 0 0 0 0 0 0 0
7.4011 3.0143 0.9526 F 0 0 0 0 0 0 0 0 0 0 0 0
8.5968 1.2861 0.4162 F 0 0 0 0 0 0 0 0 0 0 0 0
-6.6696 3.8495 -1.1411 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9819 2.1002 0.1096 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5263 -0.4570 -0.0546 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8331 -0.1381 -0.0459 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3013 -2.0489 -0.0374 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6918 -1.2805 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1908 0.1552 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4023 1.8557 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9348 -0.4349 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2138 -0.9891 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0442 -0.7271 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3792 -0.2482 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1082 1.4090 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4849 0.6019 0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2140 2.2592 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3644 0.2176 -1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6578 -0.3023 1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0850 -2.3631 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2094 -2.8415 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2401 1.1347 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5170 1.0024 -1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8105 0.4825 1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6064 3.8746 1.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4497 -4.3138 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4708 1.9764 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7319 -1.9104 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7000 -1.9524 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5994 0.5542 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4713 -1.2144 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 1.7488 -1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3973 0.2710 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1267 3.2329 -1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8089 0.1217 -2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3338 -0.8026 2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9204 -3.0497 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8343 1.5025 -2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3668 0.5806 2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4511 4.5637 1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6108 3.1987 2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6711 4.4355 1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 2 0 0 0 0
1 9 2 0 0 0 0
1 15 1 0 0 0 0
1 30 1 0 0 0 0
2 31 1 0 0 0 0
3 31 1 0 0 0 0
4 31 1 0 0 0 0
5 32 1 0 0 0 0
6 32 1 0 0 0 0
7 32 1 0 0 0 0
10 13 1 0 0 0 0
10 17 1 0 0 0 0
10 35 1 0 0 0 0
11 17 2 0 0 0 0
11 18 1 0 0 0 0
12 18 2 0 0 0 0
12 26 1 0 0 0 0
13 16 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 18 1 0 0 0 0
14 19 2 0 0 0 0
14 20 1 0 0 0 0
15 21 2 0 0 0 0
15 22 1 0 0 0 0
16 23 2 0 0 0 0
16 24 1 0 0 0 0
17 25 1 0 0 0 0
19 21 1 0 0 0 0
19 36 1 0 0 0 0
20 22 2 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
23 28 1 0 0 0 0
23 40 1 0 0 0 0
24 29 2 0 0 0 0
24 41 1 0 0 0 0
25 26 2 0 0 0 0
25 42 1 0 0 0 0
26 31 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
27 32 1 0 0 0 0
28 43 1 0 0 0 0
29 44 1 0 0 0 0
30 45 1 0 0 0 0
30 46 1 0 0 0 0
30 47 1 0 0 0 0
M END
$$$$