B4ALR2 -OEChem-04022115553D 53 55 0 1 0 0 0 0 0999 V2000 -3.9029 1.6757 0.6321 P 0 0 2 0 0 0 0 0 0 0 0 0 -4.8153 -0.8059 -0.6075 P 0 0 1 0 0 0 0 0 0 0 0 0 -2.9917 -3.0530 -0.0413 P 0 3 0 0 0 0 0 0 0 0 0 0 0.7114 1.6437 0.9693 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 3.8411 0.3708 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8958 4.2358 -1.5201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7146 0.2128 -0.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 1.3869 2.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6072 2.6799 -0.2105 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 -2.1416 -0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 -1.2145 0.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6107 -0.2787 -1.7653 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -2.1610 0.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8229 -3.6748 1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4382 -4.2188 -0.9909 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 0.1435 0.1683 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 -1.8431 -0.8037 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -0.1357 1.0511 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5768 -2.3402 0.5105 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3354 -3.9619 -0.7364 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 2.6889 -0.3734 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0225 2.9385 -0.9741 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1094 2.7127 0.2197 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1190 1.5502 0.6279 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3100 2.3310 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 2.4480 -1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2076 2.1385 1.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5901 -0.5503 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -0.6744 -0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -1.7792 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -2.6917 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6235 -1.1024 1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 2.2026 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0862 3.6043 0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6788 1.6717 1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 1.3962 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 3.0997 -0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 2.2209 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6445 3.3453 -2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2252 1.6252 -2.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 1.3588 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2468 3.0644 1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6681 3.6211 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 4.3121 -2.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 -0.3706 -0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9818 1.3123 2.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5448 -0.8549 1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -4.2266 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1103 -4.6073 -0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3693 -0.5868 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -2.5794 0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -4.2935 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 -4.8820 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 27 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 21 1 0 0 0 0 5 43 1 0 0 0 0 6 22 1 0 0 0 0 6 44 1 0 0 0 0 8 46 1 0 0 0 0 11 50 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 15 53 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 29 2 0 0 0 0 17 30 1 0 0 0 0 18 28 2 0 0 0 0 18 32 1 0 0 0 0 19 31 1 0 0 0 0 19 32 2 0 0 0 0 20 31 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 27 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 30 1 0 0 0 0 29 45 1 0 0 0 0 30 31 2 0 0 0 0 32 47 1 0 0 0 0 M CHG 1 3 1 M END $$$$