BAL2J3
-OEChem-04022102253D
53 55 0 1 0 0 0 0 0999 V2000
0.8448 -1.6638 -2.5101 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7355 -4.9613 0.5322 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2518 -3.9235 2.4875 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8885 -0.4856 1.6418 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9488 -1.5580 -0.3614 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2925 1.4562 -0.3889 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0840 2.5978 0.2568 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7843 0.8710 -1.1935 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0402 4.0944 0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8416 1.9771 -1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2736 2.8906 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3065 -0.3699 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3665 3.6286 0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2055 4.8269 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2942 5.0025 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5275 0.8992 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3136 -1.5837 -1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7905 -0.3053 0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0949 0.0866 -1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2180 1.1456 0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8047 -2.7329 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2815 -1.4546 1.3798 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2885 -2.6685 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3530 -0.4798 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4762 0.5793 1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0436 -0.2335 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8009 -3.8665 1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8895 -2.9440 -3.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3546 -0.8251 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4619 0.7033 -2.2266 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8403 2.5000 -2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8566 1.6437 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0309 3.1858 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2043 2.8762 1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9061 4.4685 1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2466 5.1690 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 4.1868 2.2342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7351 5.7116 1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3582 5.2585 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9513 4.5309 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7732 5.9385 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7982 0.6202 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5945 -0.1139 -2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7970 1.7670 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8227 -3.6885 -1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6535 -1.3837 2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7793 -1.1075 -1.7426 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9781 0.7952 2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 -2.8210 -4.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2500 -3.6696 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9182 -3.3001 -3.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0830 -5.7636 0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7723 -0.8897 1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 28 1 0 0 0 0
2 27 1 0 0 0 0
2 52 1 0 0 0 0
3 27 2 0 0 0 0
4 29 1 0 0 0 0
4 53 1 0 0 0 0
5 29 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 16 1 0 0 0 0
7 11 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 15 1 0 0 0 0
10 11 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 19 2 0 0 0 0
16 20 1 0 0 0 0
17 21 1 0 0 0 0
18 22 2 0 0 0 0
18 42 1 0 0 0 0
19 24 1 0 0 0 0
19 43 1 0 0 0 0
20 25 2 0 0 0 0
20 44 1 0 0 0 0
21 23 2 0 0 0 0
21 45 1 0 0 0 0
22 23 1 0 0 0 0
22 46 1 0 0 0 0
23 27 1 0 0 0 0
24 26 2 0 0 0 0
24 47 1 0 0 0 0
25 26 1 0 0 0 0
25 48 1 0 0 0 0
26 29 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
28 51 1 0 0 0 0
M END
$$$$