B58HMR
-OEChem-04022102563D
55 58 0 0 0 0 0 0 0999 V2000
-4.3207 -1.4193 -1.1065 S 0 0 0 0 0 0 0 0 0 0 0 0
0.7088 -3.7306 -1.0518 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8830 -0.3976 2.2765 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8088 -1.8683 -0.2021 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1068 -0.1121 -0.0817 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5121 -1.6422 0.3939 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1994 1.1584 -1.5643 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7940 -0.6359 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0760 -2.2153 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1879 -0.2146 1.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8712 -0.9752 -1.2426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7003 -2.6974 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5686 -2.2712 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1967 0.7546 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6872 -3.2638 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0009 -2.9384 0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7884 1.0856 1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6963 1.2913 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0414 0.6423 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4093 -0.4945 1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5725 0.3010 -0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1412 1.9440 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8801 1.9534 1.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7880 2.1591 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3798 2.4901 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7840 2.8658 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2879 2.4303 -1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5960 2.3890 2.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9790 3.4113 -1.9919 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3580 0.1411 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1433 -0.7476 1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8958 -2.8466 -1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6416 -2.8150 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0895 0.7479 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5792 -0.9471 1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8196 -1.3103 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3205 -0.4129 -2.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3902 -2.2355 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 -1.2713 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8620 -3.3218 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3765 -4.2690 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7563 -3.6977 0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8409 -2.9682 1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4352 0.6730 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2498 1.0660 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3435 2.2086 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1754 2.5798 -2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2298 3.1657 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8940 3.9036 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0734 1.8436 3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5125 2.2364 2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7770 3.4555 2.4303 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2975 4.2234 -2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3206 2.9328 -2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8538 3.8321 -1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 21 1 0 0 0 0
2 12 2 0 0 0 0
3 20 2 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
6 16 1 0 0 0 0
6 20 1 0 0 0 0
7 21 1 0 0 0 0
7 27 2 0 0 0 0
8 10 1 0 0 0 0
8 30 1 0 0 0 0
8 31 1 0 0 0 0
9 11 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 13 1 0 0 0 0
13 15 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 16 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
17 23 1 0 0 0 0
17 44 1 0 0 0 0
18 24 2 0 0 0 0
18 45 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
22 26 2 0 0 0 0
22 28 1 0 0 0 0
23 25 2 0 0 0 0
23 46 1 0 0 0 0
24 25 1 0 0 0 0
24 47 1 0 0 0 0
25 48 1 0 0 0 0
26 27 1 0 0 0 0
26 49 1 0 0 0 0
27 29 1 0 0 0 0
28 50 1 0 0 0 0
28 51 1 0 0 0 0
28 52 1 0 0 0 0
29 53 1 0 0 0 0
29 54 1 0 0 0 0
29 55 1 0 0 0 0
M END
$$$$