BEW86O
-OEChem-04042101523D
57 61 0 1 0 0 0 0 0999 V2000
-0.6561 -3.6497 -0.9221 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.9504 -0.3926 0.3731 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1601 1.7804 -1.9811 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6094 3.6618 -0.2507 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1258 2.5446 0.6012 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1680 -1.5965 1.4569 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8931 -2.5733 1.4145 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3910 -0.4473 0.5569 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2785 -0.9212 0.9419 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3096 0.3629 0.4505 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2903 1.7379 1.6838 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.8195 0.8117 -0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4587 -0.2237 -1.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2541 1.1718 -1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3620 0.6703 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7875 1.4436 -0.7439 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0227 2.3284 -0.5549 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1758 -0.0425 -0.7783 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8928 1.8296 0.5986 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1777 0.3333 0.4563 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.6351 1.3253 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7501 -0.4305 0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5331 1.8224 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9584 -0.9459 -0.8056 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9515 -0.2110 1.6527 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5688 0.5895 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1968 1.8172 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0215 -0.8855 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5760 -1.4602 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9015 -1.7165 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0794 -1.6203 1.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7753 -1.8376 -1.8625 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7185 -2.6080 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6555 -2.6686 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4773 -0.5364 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8553 -1.0071 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5223 1.3000 -2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1365 1.7884 -1.7816 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0683 1.6625 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6033 2.3936 -1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7799 -0.2455 -1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3931 2.0352 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7653 0.1282 -0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2860 -1.3261 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0237 2.7156 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3760 -0.0910 2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9210 0.2839 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5781 2.6664 -0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1676 -0.1995 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7918 1.6009 -2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0817 3.6366 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5825 2.3589 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3245 -2.6156 1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3480 -1.0721 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4960 -1.8962 -2.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5271 -3.3576 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6576 -1.9228 2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
1 33 1 0 0 0 0
2 18 1 0 0 0 0
2 20 1 0 0 0 0
3 16 1 0 0 0 0
3 50 1 0 0 0 0
4 17 1 0 0 0 0
4 51 1 0 0 0 0
5 19 1 0 0 0 0
5 52 1 0 0 0 0
6 25 1 0 0 0 0
6 57 1 0 0 0 0
7 29 2 0 0 0 0
8 22 1 0 0 0 0
8 26 1 0 0 0 0
8 29 1 0 0 0 0
9 10 1 0 0 0 0
9 29 1 0 0 0 0
9 31 1 0 0 0 0
10 26 2 0 0 0 0
11 21 3 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 15 1 0 0 0 0
12 21 1 0 0 0 0
13 14 1 0 0 0 0
13 35 1 0 0 0 0
13 36 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 22 2 0 0 0 0
15 23 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
16 39 1 0 0 0 0
17 19 1 0 0 0 0
17 40 1 0 0 0 0
18 24 1 0 0 0 0
18 41 1 0 0 0 0
19 20 1 0 0 0 0
19 42 1 0 0 0 0
20 25 1 0 0 0 0
20 43 1 0 0 0 0
22 44 1 0 0 0 0
23 27 2 0 0 0 0
23 45 1 0 0 0 0
24 28 2 0 0 0 0
24 32 1 0 0 0 0
25 46 1 0 0 0 0
25 47 1 0 0 0 0
26 27 1 0 0 0 0
27 48 1 0 0 0 0
28 30 1 0 0 0 0
28 49 1 0 0 0 0
30 31 1 0 0 0 0
30 33 2 0 0 0 0
31 53 1 0 0 0 0
31 54 1 0 0 0 0
32 34 2 0 0 0 0
32 55 1 0 0 0 0
33 34 1 0 0 0 0
34 56 1 0 0 0 0
M END
$$$$