BHB1X9
-OEChem-04022108443D
51 54 0 0 0 0 0 0 0999 V2000
5.1602 -4.2559 -0.7461 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-5.2021 -0.5530 0.2481 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6614 -2.7478 -0.0905 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9905 -1.1902 0.3375 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7760 2.3324 -0.7761 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2519 5.3177 -2.2778 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3698 -0.3482 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4955 0.6539 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8057 -1.7682 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9118 -0.0082 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5813 0.1933 0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 -2.1752 0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9726 -1.0506 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1545 1.4061 0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0419 -1.1266 0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2882 -0.1881 1.8206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1309 0.6618 2.3431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7382 1.7313 1.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9368 -1.9753 -1.3365 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3152 -1.5917 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0202 -2.1312 0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9402 3.0853 1.6453 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9093 -2.9642 -1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9522 -3.0440 -0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5641 4.0534 0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9912 3.6290 -0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5839 -0.8819 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5839 4.5606 -1.4633 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4139 0.3756 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 1.6673 -0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9237 0.7308 -1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1858 -1.8420 -1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0701 -2.5541 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4334 0.8768 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2085 0.2149 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5094 -2.2365 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2902 -3.1663 0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1257 0.4679 1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6283 -0.7997 2.6678 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 0.0402 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4410 1.1290 3.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2083 -1.8910 -2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8524 -2.1904 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3925 3.3938 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8497 -3.6454 -2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7222 5.1050 0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7276 -1.3058 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8878 -1.6158 0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2661 0.8217 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1086 1.1266 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4775 0.1603 0.0751 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
$$$$