BB4OS6 -OEChem-04022100122D 48 52 0 1 0 0 0 0 0999 V2000 2.8641 0.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2802 -1.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 2.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6530 -1.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1989 1.9808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.7255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4558 0.7255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.8091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6641 -0.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 -1.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5096 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4601 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2801 -1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5096 1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2044 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3034 -1.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9982 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0477 -2.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1549 -0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8798 1.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 1.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.3945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -1.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 -2.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1748 1.7300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3765 1.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2872 -2.2777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2729 -1.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 -2.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9561 1.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 -1.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4597 -2.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9198 -2.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3475 -1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7443 -0.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9623 -0.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 9 2 1 1 0 0 0 2 41 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 21 2 0 0 0 0 6 25 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 23 1 0 0 0 0 8 25 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 20 2 0 0 0 0 15 33 1 0 0 0 0 18 24 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 26 2 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$