B8NHC9 -OEChem-04022118043D 47 50 0 0 0 0 0 0 0999 V2000 -4.0902 1.8001 0.1160 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4343 -2.4743 0.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4614 2.9023 -0.7499 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8008 2.0051 1.5213 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8952 -1.9667 -0.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8262 0.9537 -0.6209 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2836 0.2394 -0.0162 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3727 0.6074 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 -0.7448 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 -0.3757 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5942 -1.1680 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6974 1.0336 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0567 -1.6836 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 -0.7996 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7102 0.0818 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3916 -1.2739 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 0.1933 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9201 0.1026 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 0.0554 0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7924 -1.0017 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8654 1.3428 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -1.0470 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2595 1.2974 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0235 -1.1270 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1027 1.1924 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1541 -0.0355 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4175 -1.1725 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4968 1.1470 -0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6445 -0.0840 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1862 1.4004 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9530 2.0883 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8528 -2.7518 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7478 0.3939 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1827 -2.0175 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6804 1.1486 0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.9285 -0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 2.2784 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6581 -1.9912 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 2.2096 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -2.6776 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4929 -2.0281 0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 2.1257 -0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9189 -2.0979 0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 2.0366 -0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 -0.3834 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0704 0.8928 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0127 -0.7969 0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 40 1 0 0 0 0 5 14 2 0 0 0 0 6 10 1 0 0 0 0 6 30 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 27 1 0 0 0 0 24 41 1 0 0 0 0 25 28 2 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$