BHB29V -OEChem-04022113043D 46 47 0 1 0 0 0 0 0999 V2000 4.2249 0.1907 1.1355 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2951 -0.2386 -1.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4313 1.5800 0.7393 N 0 0 2 0 0 0 0 0 0 0 0 0 0.5862 -2.7452 0.7253 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7372 0.2767 -0.0174 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3867 2.1757 -0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2503 0.3685 0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1799 3.1031 -0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5134 -0.8027 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 2.3580 -0.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9507 2.5417 1.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3115 -1.2290 0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -2.3144 0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 -1.4617 -0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 2.2491 0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 1.7770 -1.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1484 -2.9733 -0.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 -2.5470 -1.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8778 1.5595 0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9549 1.0874 -1.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 0.9787 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 -3.8718 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 -2.0622 1.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 1.4046 -1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3104 2.7247 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 0.5394 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 0.0732 1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 3.9545 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1935 3.5494 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 3.4368 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9511 2.1042 2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9753 2.8540 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9424 -0.7003 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9676 -1.1399 -1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1984 2.7032 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3264 1.8523 -2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 -3.8216 -1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 -3.0594 -2.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 1.4973 1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 0.6464 -2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -4.0872 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 -3.6703 -0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 -4.7844 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1121 -2.4733 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4815 -2.1740 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 -1.0018 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 13 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M CHG 2 1 -1 5 1 M END $$$$