B1K3RM -OEChem-04012118372D 52 55 0 0 0 0 0 0 0999 V2000 10.5309 -3.3480 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 4.7509 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8578 3.9786 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0855 2.7939 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 -2.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6648 -3.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 0.9209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 -0.6886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 0.1161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0309 -4.2140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 2.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 3.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 2.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 4.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 3.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9437 3.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 -1.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2544 4.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 -1.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8048 1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6405 2.3593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8409 0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 1.8201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4255 4.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 3.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -0.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9109 -1.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 4.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 -1.6159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -3.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6509 -4.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7209 -4.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 12 1 0 0 0 0 1 31 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 5 34 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 10 38 1 0 0 0 0 11 34 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 22 2 0 0 0 0 18 23 2 0 0 0 0 18 37 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 27 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 42 1 0 0 0 0 27 30 2 0 0 0 0 27 43 1 0 0 0 0 28 32 1 0 0 0 0 28 44 1 0 0 0 0 29 33 2 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 47 1 0 0 0 0 33 48 1 0 0 0 0 M END $$$$