B2QJ7K -OEChem-04012116182D 48 48 0 1 0 0 0 0 0999 V2000 4.2653 1.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 3.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9373 4.9376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0712 3.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6197 2.1988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 3.2921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 3.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 8.2921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 8.2921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 1.7921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4287 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 0.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 2.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 3.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 3.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 4.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 5.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 5.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 6.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 6.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 6.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 7.7921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2052 4.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0712 4.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5008 2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 0.1810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 0.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8842 0.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6422 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 1.9164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 1.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8624 3.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4774 3.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8759 3.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 4.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6683 4.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8624 4.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6683 6.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8624 6.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1313 8.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6683 7.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 8.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5152 5.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 5.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8952 4.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4742 4.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 25 1 0 0 0 0 3 48 1 0 0 0 0 4 25 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 33 1 0 0 0 0 7 15 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 23 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 23 2 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 6 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 M END $$$$