BHB1X9
-OEChem-04012118552D
51 54 0 0 0 0 0 0 0999 V2000
9.9495 3.2317 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.9781 -2.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2460 -2.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1120 -1.0953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4586 1.6184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1121 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2460 0.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9781 0.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1121 1.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2460 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9781 -0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0130 2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2111 2.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2356 3.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6121 4.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6121 4.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9886 3.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7656 1.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1120 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2261 3.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9981 3.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7633 1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9951 2.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2291 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4609 1.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9781 -3.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7304 1.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8441 -4.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0340 0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6355 0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5887 0.2970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1902 0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6354 -0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0340 -1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1901 -1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5887 -0.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1707 4.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4741 4.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7501 4.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0535 4.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6206 1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3570 4.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8671 4.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2162 1.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6373 3.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3675 -3.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7660 -4.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5341 -4.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3810 -4.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1541 -3.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 20 1 0 0 0 0
2 27 1 0 0 0 0
3 20 2 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
4 20 1 0 0 0 0
5 14 1 0 0 0 0
5 26 2 0 0 0 0
6 28 3 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 10 2 0 0 0 0
8 11 1 0 0 0 0
8 30 1 0 0 0 0
8 31 1 0 0 0 0
9 12 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 13 1 0 0 0 0
10 14 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 15 2 0 0 0 0
13 19 1 0 0 0 0
14 18 2 0 0 0 0
15 16 1 0 0 0 0
15 21 1 0 0 0 0
16 17 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 18 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
18 22 1 0 0 0 0
19 23 2 0 0 0 0
19 42 1 0 0 0 0
21 24 2 0 0 0 0
21 43 1 0 0 0 0
22 25 2 0 0 0 0
22 44 1 0 0 0 0
23 24 1 0 0 0 0
23 45 1 0 0 0 0
25 26 1 0 0 0 0
25 46 1 0 0 0 0
26 28 1 0 0 0 0
27 29 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
29 49 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
M END
$$$$