B1MOR9 -OEChem-04012119282D 53 57 0 0 0 0 0 0 0999 V2000 13.6520 0.8662 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 0.8662 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.9507 -0.1915 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5654 -2.5194 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.3853 -2.5194 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1915 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.3400 -2.0960 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6107 -2.0960 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.3926 1.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9115 0.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5581 1.5382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0392 0.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 1.6068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9706 1.6068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4754 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2844 1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 1.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9754 0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9754 0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2998 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6509 2.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2904 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0027 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6808 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2699 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3240 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0187 -0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3014 0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -0.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9734 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 -1.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6907 -1.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6680 -1.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 -1.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8902 2.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0605 2.9801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4845 2.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 2.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4619 -0.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 -0.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 -0.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8568 -0.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1694 2.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7813 2.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4127 -0.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 0.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4907 0.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -0.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 1 13 1 0 0 0 0 1 28 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 14 1 0 0 0 0 2 29 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 13 24 1 0 0 0 0 13 48 1 0 0 0 0 14 25 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 42 1 0 0 0 0 21 25 2 0 0 0 0 21 43 1 0 0 0 0 22 26 2 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 32 1 0 0 0 0 29 31 2 0 0 0 0 29 33 1 0 0 0 0 30 36 1 0 0 0 0 30 50 1 0 0 0 0 31 37 1 0 0 0 0 31 51 1 0 0 0 0 32 34 2 0 0 0 0 32 52 1 0 0 0 0 33 35 2 0 0 0 0 33 53 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 36 38 2 0 0 0 0 37 39 2 0 0 0 0 M END $$$$