BS0KB8
-OEChem-04042101433D
64 69 0 0 0 0 0 0 0999 V2000
2.4340 -3.8106 -1.1531 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.3014 2.8848 -1.4913 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5551 0.7407 2.1820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9740 -2.8265 -2.1143 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4341 -5.2199 -1.4954 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2959 5.6954 -1.2289 O 0 5 0 0 0 0 0 0 0 0 0 0
5.1937 4.3384 0.2449 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3163 0.3906 1.5945 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6001 -3.6003 0.3130 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2185 4.7156 -0.4488 N 0 3 0 0 0 0 0 0 0 0 0 0
-0.7619 0.8082 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6746 1.8610 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1189 0.2477 0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2079 -0.7490 2.4939 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5558 2.6223 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8533 1.0036 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9825 2.0462 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6650 2.2255 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5610 1.0583 1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2947 -2.0857 1.7602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7609 -0.8122 1.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1786 0.7676 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5888 -2.2768 0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6833 3.7218 -1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8080 -0.2978 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8787 2.9198 0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1043 -1.0819 1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9892 4.0119 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8938 4.4121 -1.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1916 -0.6004 -0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5064 -1.4818 -1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2103 -0.0109 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0884 -3.3911 -0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8402 -1.7737 -1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5440 -0.3028 0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9539 -4.3796 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5271 -2.0710 -0.7946 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8590 -1.1841 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2583 -4.0481 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8315 -1.7393 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6971 -2.7280 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6922 -0.6527 3.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0289 -0.7146 3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5326 -2.2145 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1959 -2.8939 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2965 -1.4501 2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6967 1.3924 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4487 -2.2162 1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6797 -1.4931 0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1467 4.0658 -1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7278 2.5975 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5942 -1.9147 1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9429 5.2590 -1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4988 -4.4099 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7244 -1.9501 -1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9824 0.6784 1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0855 -2.4600 -2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3374 0.1562 0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6312 -5.4125 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8691 -1.2842 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8974 -1.4113 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9318 -4.8173 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1726 -0.7111 -0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7124 -2.4696 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 9 1 0 0 0 0
1 33 1 0 0 0 0
2 17 2 0 0 0 0
3 19 2 0 0 0 0
6 10 1 0 0 0 0
7 10 2 0 0 0 0
8 11 1 0 0 0 0
8 14 1 0 0 0 0
8 19 1 0 0 0 0
9 23 1 0 0 0 0
9 54 1 0 0 0 0
10 28 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 15 1 0 0 0 0
12 17 1 0 0 0 0
13 16 2 0 0 0 0
13 21 1 0 0 0 0
14 20 1 0 0 0 0
14 42 1 0 0 0 0
14 43 1 0 0 0 0
15 18 2 0 0 0 0
15 24 1 0 0 0 0
16 17 1 0 0 0 0
16 22 1 0 0 0 0
18 19 1 0 0 0 0
18 26 1 0 0 0 0
20 23 1 0 0 0 0
20 44 1 0 0 0 0
20 45 1 0 0 0 0
21 27 2 0 0 0 0
21 46 1 0 0 0 0
22 25 2 0 0 0 0
22 47 1 0 0 0 0
23 48 1 0 0 0 0
23 49 1 0 0 0 0
24 29 2 0 0 0 0
24 50 1 0 0 0 0
25 27 1 0 0 0 0
25 30 1 0 0 0 0
26 28 2 0 0 0 0
26 51 1 0 0 0 0
27 52 1 0 0 0 0
28 29 1 0 0 0 0
29 53 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
31 34 1 0 0 0 0
31 55 1 0 0 0 0
32 35 2 0 0 0 0
32 56 1 0 0 0 0
33 36 2 0 0 0 0
33 37 1 0 0 0 0
34 38 2 0 0 0 0
34 57 1 0 0 0 0
35 38 1 0 0 0 0
35 58 1 0 0 0 0
36 39 1 0 0 0 0
36 59 1 0 0 0 0
37 40 2 0 0 0 0
37 60 1 0 0 0 0
38 61 1 0 0 0 0
39 41 2 0 0 0 0
39 62 1 0 0 0 0
40 41 1 0 0 0 0
40 63 1 0 0 0 0
41 64 1 0 0 0 0
M CHG 2 6 -1 10 1
M END
$$$$