B2OHL3
-OEChem-04022112173D
58 59 0 1 0 0 0 0 0999 V2000
-0.1857 0.3591 -1.0203 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4148 -0.3417 0.9767 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7897 -1.6298 -0.7967 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4911 -0.9030 -0.7782 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6360 2.0594 1.0678 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0480 1.5703 0.6761 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5267 0.0417 -0.9603 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3968 -1.3951 0.3724 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5667 1.0082 0.1434 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6315 -0.5247 -1.2099 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5080 0.3412 0.2126 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5226 -0.7304 1.0156 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8270 -1.5834 2.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3841 -2.9822 1.8195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1634 -2.7153 0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3835 1.0472 -0.7060 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8140 2.4478 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2446 2.8134 0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6152 2.1661 1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4152 -0.7574 -0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6357 -1.5291 -0.9866 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.4451 -0.0092 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6578 -0.7372 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5676 0.0629 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3441 -2.3358 -2.2302 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6915 0.5540 -0.5890 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7999 0.2723 0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3634 1.3809 -1.8219 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8079 1.2058 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2317 0.8440 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2446 0.2959 1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2132 -1.2500 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8770 -1.5572 2.5483 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1719 -3.4609 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1608 -3.6321 2.6702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0279 -3.4722 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7409 -2.6610 1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6657 0.8499 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2829 3.1402 -1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7291 2.5052 -0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5506 2.3745 1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2731 3.8932 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8451 1.8602 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4038 2.8358 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0070 -2.1828 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6958 -0.1210 -2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9950 -1.6967 -3.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5687 -3.0871 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2451 -2.8520 -2.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2981 1.0249 0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0405 -0.4345 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2393 1.2519 0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5476 0.1882 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5418 -0.4946 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9849 2.3712 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2519 1.5298 -2.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5966 0.8924 -2.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 1.3835 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 2 0 0 0 0
2 22 2 0 0 0 0
3 23 2 0 0 0 0
4 24 2 0 0 0 0
5 29 2 0 0 0 0
6 30 1 0 0 0 0
6 58 1 0 0 0 0
7 30 2 0 0 0 0
8 12 1 0 0 0 0
8 15 1 0 0 0 0
8 20 1 0 0 0 0
9 16 1 0 0 0 0
9 19 1 0 0 0 0
9 24 1 0 0 0 0
10 21 1 0 0 0 0
10 22 1 0 0 0 0
10 46 1 0 0 0 0
11 23 1 0 0 0 0
11 26 1 0 0 0 0
11 50 1 0 0 0 0
12 13 1 0 0 0 0
12 23 1 0 0 0 0
12 31 1 0 0 0 0
13 14 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 15 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 17 1 0 0 0 0
16 22 1 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 19 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
20 21 1 0 0 0 0
21 25 1 0 0 0 0
21 45 1 0 0 0 0
24 27 1 0 0 0 0
25 47 1 0 0 0 0
25 48 1 0 0 0 0
25 49 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
26 51 1 0 0 0 0
27 52 1 0 0 0 0
27 53 1 0 0 0 0
27 54 1 0 0 0 0
28 55 1 0 0 0 0
28 56 1 0 0 0 0
28 57 1 0 0 0 0
29 30 1 0 0 0 0
M END
$$$$