B72LPH
-OEChem-04022117133D
47 49 0 0 0 0 0 0 0999 V2000
6.9030 -1.3297 0.1340 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 0.6627 2.0409 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0418 -0.7761 -0.7099 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8581 -0.8880 0.7811 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7711 -0.3251 1.1767 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9698 0.3310 1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1637 -0.3992 1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8263 0.4353 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6836 -0.2858 1.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 -0.8754 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8326 -1.9550 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0556 0.3590 -0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4322 -1.9084 -0.1078 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5176 -0.0970 -2.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3057 0.5597 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6821 -2.4688 -0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7380 0.1330 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0643 0.0860 -0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1727 1.5859 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9413 1.0116 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1914 1.2123 1.5933 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9502 -0.3013 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5092 1.4380 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6489 0.8873 -1.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7572 2.3871 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0776 -1.5169 -2.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9954 2.0378 -1.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7455 -1.2628 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0464 0.2261 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7865 -2.3637 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4495 -2.4189 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6912 -0.0463 -2.9809 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2845 0.5876 -2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6674 -3.3073 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1021 -0.3798 -1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2136 1.8853 0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7173 0.3069 1.9708 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9709 1.1921 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7304 0.6673 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8677 1.5498 2.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1989 1.9456 1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 0.6292 -1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2497 3.2842 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9361 -1.5900 -1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4065 -1.8142 -3.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3213 -2.2338 -1.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4507 2.6621 -2.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
2 9 2 0 0 0 0
3 22 2 0 0 0 0
4 7 1 0 0 0 0
4 9 1 0 0 0 0
4 11 1 0 0 0 0
5 10 1 0 0 0 0
5 22 1 0 0 0 0
5 37 1 0 0 0 0
6 15 1 0 0 0 0
6 22 1 0 0 0 0
6 39 1 0 0 0 0
7 8 1 0 0 0 0
7 28 1 0 0 0 0
7 29 1 0 0 0 0
8 18 1 0 0 0 0
8 19 2 0 0 0 0
9 10 1 0 0 0 0
10 13 2 0 0 0 0
11 16 2 0 0 0 0
11 30 1 0 0 0 0
12 14 1 0 0 0 0
12 17 2 0 0 0 0
12 20 1 0 0 0 0
13 16 1 0 0 0 0
13 31 1 0 0 0 0
14 26 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 17 1 0 0 0 0
15 21 2 0 0 0 0
16 34 1 0 0 0 0
17 35 1 0 0 0 0
18 24 2 0 0 0 0
19 25 1 0 0 0 0
19 36 1 0 0 0 0
20 23 2 0 0 0 0
20 38 1 0 0 0 0
21 23 1 0 0 0 0
21 40 1 0 0 0 0
23 41 1 0 0 0 0
24 27 1 0 0 0 0
24 42 1 0 0 0 0
25 27 2 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
M END
$$$$