BHB6G7
-OEChem-04042105293D
42 43 0 0 0 0 0 0 0999 V2000
-5.3380 1.2537 -0.0249 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.4101 -3.8375 -0.5732 S 0 0 0 0 0 0 0 0 0 0 0 0
5.3846 2.6522 0.1206 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2295 0.5242 0.8660 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1887 2.6949 0.1228 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3758 0.0008 -0.1115 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8493 -2.7158 0.1779 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0381 -1.2355 0.2557 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7722 0.9105 -1.6414 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0002 0.6881 -1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7576 0.9819 0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3896 -0.9748 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0161 1.7087 -0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8023 1.9963 1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8155 -1.7431 0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4783 -2.5263 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2481 -0.6403 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7557 0.5208 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3588 0.6830 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3594 -1.3978 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6230 1.2685 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6238 -0.8125 0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5129 -0.0336 -1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2369 1.2003 -1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9342 1.5035 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3699 0.5264 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5877 -0.4886 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8679 -1.6906 -1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4387 2.2629 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8469 1.2253 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5923 1.5242 1.8445 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3309 2.7633 1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6145 -2.3013 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3378 -1.1238 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 -3.6457 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7734 -0.5354 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 1.2727 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2993 -2.4124 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7028 2.3062 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4914 -1.4105 0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7943 1.6938 -2.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5077 0.2108 -1.7992 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 18 1 0 0 0 0
2 16 2 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
7 35 1 0 0 0 0
8 16 1 0 0 0 0
8 17 1 0 0 0 0
8 36 1 0 0 0 0
9 41 1 0 0 0 0
9 42 1 0 0 0 0
10 13 1 0 0 0 0
10 23 1 0 0 0 0
10 24 1 0 0 0 0
11 14 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 15 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
14 32 1 0 0 0 0
15 33 1 0 0 0 0
15 34 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
18 21 2 0 0 0 0
18 22 1 0 0 0 0
19 21 1 0 0 0 0
19 37 1 0 0 0 0
20 22 2 0 0 0 0
20 38 1 0 0 0 0
21 39 1 0 0 0 0
22 40 1 0 0 0 0
M END
$$$$