B6XE2V
-OEChem-04022114393D
43 45 0 1 0 0 0 0 0999 V2000
-4.9910 1.4390 -0.1278 P 0 3 0 0 0 0 0 0 0 0 0 0
-6.2255 0.4209 -0.3319 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6974 1.7102 -1.5273 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 -0.0035 0.8191 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0373 -1.3694 -0.6587 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9216 -1.2827 1.3328 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9846 -3.3725 0.0737 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2539 -4.0049 -1.4535 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1418 -0.2254 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2529 0.7401 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1272 1.1470 1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6600 0.1493 0.1501 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7575 -1.0768 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6552 2.3747 0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1451 -1.9120 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7684 -0.3933 1.5768 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9379 2.1123 0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8030 -3.0986 -0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1669 2.3152 0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8945 1.6669 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4634 -2.4610 0.9545 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3527 2.0728 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0800 1.4244 -1.8509 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3092 1.6274 -1.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1148 1.6284 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2219 1.1110 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8123 1.3728 2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8395 0.8581 2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8380 -0.6811 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0971 2.7458 0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8112 3.1933 1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5675 0.3865 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7670 -0.7974 1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0550 -1.2067 1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2134 2.6595 1.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9450 1.5112 -1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4113 -2.7123 1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3097 2.2299 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0461 1.0785 -2.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7508 -4.8604 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6278 -3.8026 -1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2323 1.4384 -1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0854 -0.1473 -1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
1 12 1 0 0 0 0
2 43 1 0 0 0 0
4 9 1 0 0 0 0
4 11 1 0 0 0 0
4 13 1 0 0 0 0
5 9 2 0 0 0 0
5 15 1 0 0 0 0
6 13 2 0 0 0 0
6 21 1 0 0 0 0
7 18 1 0 0 0 0
7 21 2 0 0 0 0
8 18 1 0 0 0 0
8 40 1 0 0 0 0
8 41 1 0 0 0 0
9 10 1 0 0 0 0
10 12 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 14 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 16 1 0 0 0 0
12 29 1 0 0 0 0
13 15 1 0 0 0 0
14 17 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
15 18 2 0 0 0 0
16 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
19 22 1 0 0 0 0
19 35 1 0 0 0 0
20 23 2 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
22 24 2 0 0 0 0
22 38 1 0 0 0 0
23 24 1 0 0 0 0
23 39 1 0 0 0 0
24 42 1 0 0 0 0
M CHG 1 1 1
M END
$$$$