BM1R6V -OEChem-04012116322D 54 58 0 1 0 0 0 0 0999 V2000 7.2784 0.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0888 -2.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7486 0.0045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2784 -1.2276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7123 -0.3266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6872 -2.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2784 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2784 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6948 1.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7443 0.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2784 -1.2276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6948 -0.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7784 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4691 -0.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6872 -0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4691 -1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 2.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7123 -2.1286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9098 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 2.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3630 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 2.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3630 -2.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2691 -0.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2691 -1.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8653 1.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 1.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0879 2.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3992 2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3548 2.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8610 0.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 1.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -0.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8861 -0.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9486 -0.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 -0.8896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 -0.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9684 -1.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4904 2.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 1.4738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8252 -2.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2846 3.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3558 0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7448 3.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3558 -2.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8048 -0.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8048 -2.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3198 0.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5843 1.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 2.3233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9447 2.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4928 3.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 19 2 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 39 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 40 1 0 0 0 0 5 12 1 0 0 0 0 5 16 2 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 18 2 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 20 2 0 0 0 0 12 19 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 23 2 0 0 0 0 16 21 1 0 0 0 0 17 25 2 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 20 24 1 0 0 0 0 20 42 1 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 26 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END $$$$