B4U9WN
-OEChem-04012114252D
49 52 0 0 0 0 0 0 0999 V2000
4.1782 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.7197 6.7735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9048 2.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4170 4.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0028 2.7363 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
9.3564 4.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0724 6.2382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7926 9.6267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6901 3.6862 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
7.1939 10.4357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4033 5.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7123 4.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7634 7.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4092 5.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6904 4.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1028 4.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3596 5.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0505 6.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4325 7.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9065 3.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1235 8.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7276 6.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9970 3.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3816 4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0936 4.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7112 3.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0142 3.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7133 6.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 5.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5847 10.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7871 9.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4507 11.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3817 7.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2160 6.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8142 7.4439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9799 8.2235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7418 9.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5761 8.5924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9255 6.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5768 2.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7912 5.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9094 3.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2035 2.5258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2998 6.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0183 10.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0971 8.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5155 11.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1782 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 49 1 0 0 0 0
2 18 2 0 0 0 0
3 20 2 0 0 0 0
4 29 1 0 0 0 0
4 48 1 0 0 0 0
5 9 1 0 0 0 0
6 9 2 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
7 18 1 0 0 0 0
8 21 1 0 0 0 0
8 30 1 0 0 0 0
8 31 1 0 0 0 0
9 26 1 0 0 0 0
10 31 2 0 0 0 0
10 32 1 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
12 15 1 0 0 0 0
12 20 1 0 0 0 0
13 19 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 16 2 0 0 0 0
14 22 1 0 0 0 0
15 17 2 0 0 0 0
15 23 1 0 0 0 0
16 20 1 0 0 0 0
16 25 1 0 0 0 0
17 18 1 0 0 0 0
17 24 1 0 0 0 0
19 21 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 28 2 0 0 0 0
22 39 1 0 0 0 0
23 27 2 0 0 0 0
23 40 1 0 0 0 0
24 26 2 0 0 0 0
24 41 1 0 0 0 0
25 29 2 0 0 0 0
25 42 1 0 0 0 0
26 27 1 0 0 0 0
27 43 1 0 0 0 0
28 29 1 0 0 0 0
28 44 1 0 0 0 0
30 32 2 0 0 0 0
30 45 1 0 0 0 0
31 46 1 0 0 0 0
32 47 1 0 0 0 0
M CHG 2 5 -1 9 1
M END
$$$$