B5UPI0
-OEChem-04012115412D
46 51 0 1 0 0 0 0 0999 V2000
5.9916 3.9597 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9318 7.9831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.2978 9.3491 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.2978 7.6171 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.9885 1.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 0.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5429 5.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5298 8.4831 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.6638 9.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3713 1.2930 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.3681 4.7416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9344 3.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8681 2.5509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0472 1.5831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9671 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7613 3.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2938 0.9499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7691 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3681 4.7416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.2146 2.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7446 3.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2169 2.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2690 1.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6239 0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8566 1.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6194 0.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4108 1.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7541 4.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9851 3.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5959 2.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7978 8.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6638 8.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5195 1.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3534 4.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1912 3.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4388 0.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5572 5.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0991 5.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3479 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1261 0.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4542 1.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9997 0.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5386 0.2468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4616 1.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9526 5.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 19 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
14 5 1 1 0 0 0
5 44 1 0 0 0 0
6 23 2 0 0 0 0
7 28 1 0 0 0 0
7 46 1 0 0 0 0
8 32 1 0 0 0 0
9 32 2 0 0 0 0
10 17 1 0 0 0 0
10 20 2 0 0 0 0
10 24 1 0 0 0 0
11 19 1 0 0 0 0
11 21 1 0 0 0 0
11 38 1 0 0 0 0
12 29 1 0 0 0 0
12 30 2 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 6 0 0 0
13 18 1 0 0 0 0
14 17 1 0 0 0 0
14 33 1 0 0 0 0
15 20 1 0 0 0 0
15 21 2 0 0 0 0
16 19 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 23 1 0 0 0 0
17 36 1 6 0 0 0
18 25 2 0 0 0 0
19 37 1 6 0 0 0
20 22 1 0 0 0 0
21 28 1 0 0 0 0
22 27 2 0 0 0 0
22 29 1 0 0 0 0
23 25 1 0 0 0 0
24 26 1 0 0 0 0
24 39 1 0 0 0 0
24 40 1 0 0 0 0
25 41 1 0 0 0 0
26 27 1 0 0 0 0
26 42 1 0 0 0 0
26 43 1 0 0 0 0
27 30 1 0 0 0 0
28 29 2 0 0 0 0
30 45 1 0 0 0 0
31 32 1 0 0 0 0
M CHG 2 8 -1 10 1
M END
$$$$